Formula |
C18H16N6O10S4 |
IUPAC Name |
s-[(2s)-2-(2,4-dinitroanilino)-3-sulfanyl-propanoyl]sulfanyl (2s)-2-(2,4-dinitroanilino)-3-sulfanyl-propanethioate |
Molecular Mass |
604.614 g·mol−1 |
Heat of Formation |
-164.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.26 ± 1.08 D |
Volume |
628.12 Å 3 |
Surface Area |
429.16 Å 2 |
HOMO Energy |
-9.72 ± 0.55 eV |
LUMO Energy |
-2.58 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OPSWBYQTNCMSGR-KBPBESRZSA-N |
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Elements |
H
S
C
O
N
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