| Formula |
C16H16ClN3O4 |
| IUPAC Name |
(6r,7s)-7-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Molecular Mass |
349.769 g·mol−1 |
| Heat of Formation |
-471.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.94 ± 1.08 D |
| Volume |
392.8 Å 3 |
| Surface Area |
327.08 Å 2 |
| HOMO Energy |
-9.29 ± 0.55 eV |
| LUMO Energy |
2.48 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (6r,7s)-7-[[(2r)-2-amino-1-oxo-2-phenylethyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7s)-7-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7s)-7-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- (6r,7s)-7-[[(2r)-2-amino-2-phenyl-ethanoyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
|
| InChIKey |
JAPHQRWPEGVNBT-UTUOFQBUSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
Cl
|
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