Formula |
C20H22N10O5S2 |
IUPAC Name |
(6r,7r)-7-[[(2s)-2-(diaminomethylenecarbamoylamino)-2-phenyl-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
546.583 g·mol−1 |
Heat of Formation |
-206.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.93 ± 1.08 D |
Volume |
597.16 Å 3 |
Surface Area |
504.67 Å 2 |
HOMO Energy |
-9.24 ± 0.55 eV |
LUMO Energy |
-0.98 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DQBHNTJTWSHHTR-XHBSWPGZSA-N |
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Elements |
H
S
C
O
N
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