Formula |
C18H19N3O5S |
IUPAC Name |
(6r,7s)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-[(e)-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 |
-549.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.16 ± 1.08 D |
Volume |
444.47 Å 3 |
Surface Area |
384.27 Å 2 |
HOMO Energy |
-8.98 ± 0.55 eV |
LUMO Energy |
-0.63 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WDLWHQDACQUCJR-VTHQOVDZSA-N |
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Elements |
H
S
C
O
N
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