Formula |
C23H28ClN4O4S3+ |
IUPAC Name |
(6r,7s)-7-[[2-(3-chlorophenyl)acetyl]amino]-3-[(4,4-dimethylpiperazin-4-ium-1-carbothioyl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
Molecular Mass |
556.141 g·mol−1 |
Heat of Formation |
-233.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
18.22 ± 1.08 D |
Volume |
622.01 Å 3 |
Surface Area |
425.88 Å 2 |
HOMO Energy |
-8.15 ± 0.55 eV |
LUMO Energy |
1.82 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZWTPTPWLMRXLJE-GHTZIAJQSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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