Formula |
C27H28Cl2N4O6S |
IUPAC Name |
(6s,7r)-3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoyloxymethyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass |
607.505 g·mol−1 |
Heat of Formation |
-769.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.88 ± 1.08 D |
Volume |
679.47 Å 3 |
Surface Area |
565.71 Å 2 |
HOMO Energy |
-8.16 ± 0.55 eV |
LUMO Energy |
-0.68 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YPVMPWUFEGUJOE-RDGATRHJSA-N |
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Elements |
C
Cl
H
O
N
S
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