Formula |
C16H22N6O3S |
IUPAC Name |
(2s)-n-[(1s)-2-[(2s)-2-carbamothioylpyrrolidin-1-yl]-1-(imidazol-3-ium-4-ylium-4-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide |
Molecular Mass |
378.449 g·mol−1 |
Heat of Formation |
-350.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.33 ± 1.08 D |
Volume |
448.93 Å 3 |
Surface Area |
377.88 Å 2 |
HOMO Energy |
-8.57 ± 0.55 eV |
LUMO Energy |
-0.52 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XDMCHYGXDNNEPU-SRVKXCTJSA-N |
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Links |
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Elements |
H
S
C
O
N
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