Formula |
C29H41N7O4S |
IUPAC Name |
n-[(1s)-1-[[(e,1s)-3-(benzenesulfonyl)-1-(2-phenylethyl)allyl]carbamoyl]-4-guanidino-butyl]-4-methyl-piperazine-1-carboxamide |
Molecular Mass |
583.745 g·mol−1 |
Heat of Formation |
-456.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.42 ± 1.08 D |
Volume |
705.41 Å 3 |
Surface Area |
579.31 Å 2 |
HOMO Energy |
-9.06 ± 0.55 eV |
LUMO Energy |
-0.92 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QLVPCZICLZOVOF-GQCXWPLSSA-N |
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Elements |
H
S
C
O
N
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