Formula |
C18H17N3O4S2 |
IUPAC Name |
(6r,7s)-7-[[(2r)-2-amino-2-(benzothiophen-3-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
403.475 g·mol−1 |
Heat of Formation |
-340.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.29 ± 1.08 D |
Volume |
440.6 Å 3 |
Surface Area |
380.44 Å 2 |
HOMO Energy |
-8.74 ± 0.55 eV |
LUMO Energy |
-1.14 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UZIXWKQHCIOPLV-IIYDPXPESA-N |
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Elements |
H
S
C
O
N
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