Formula |
C29H33Cl2N5O3S |
IUPAC Name |
3-[(2s)-3-[4-(2-aminoethyl)-1-piperidyl]-2-[[3-(2,4-dichlorophenyl)phenyl]sulfonylamino]-3-oxo-propyl]benzamidine |
Molecular Mass |
602.575 g·mol−1 |
Heat of Formation |
-308.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.89 ± 1.08 D |
Volume |
710.38 Å 3 |
Surface Area |
534.45 Å 2 |
HOMO Energy |
-9.26 ± 0.55 eV |
LUMO Energy |
-0.83 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZLCINVZAICQINL-MHZLTWQESA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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