Formula |
C18H19N3O5S |
IUPAC Name |
(6s,7r)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
389.426 g·mol−1 |
Heat of Formation |
-548.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.40 ± 1.08 D |
Volume |
444.3 Å 3 |
Surface Area |
378.5 Å 2 |
HOMO Energy |
-9.12 ± 0.55 eV |
LUMO Energy |
-0.67 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WDLWHQDACQUCJR-XXODMFJYSA-N |
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Elements |
H
S
C
O
N
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