Formula |
C18H18N6O5S2 |
IUPAC Name |
(6r,7s)-7-[[(2r)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-8-oxo-3-(2h-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
462.503 g·mol−1 |
Heat of Formation |
-301.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.52 ± 1.08 D |
Volume |
499.75 Å 3 |
Surface Area |
399.73 Å 2 |
HOMO Energy |
-8.88 ± 0.55 eV |
LUMO Energy |
-0.72 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UOCJDOLVGGIYIQ-IIYDPXPESA-N |
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Elements |
H
S
C
O
N
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