Formula |
C18H16N6O12S2 |
IUPAC Name |
(2s)-3-[[(2s)-2-carboxy-2-(2,4-dinitroanilino)ethyl]disulfanyl]-2-(2,4-dinitroanilino)propanoic acid |
Molecular Mass |
572.483 g·mol−1 |
Heat of Formation |
-613.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.78 ± 1.08 D |
Volume |
579.48 Å 3 |
Surface Area |
494.38 Å 2 |
HOMO Energy |
-9.91 ± 0.55 eV |
LUMO Energy |
-2.09 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UMGXLEJJKAWCHT-FUCFBTBUSA-N |
QR Code |
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Elements |
H
S
C
O
N
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