Formula |
C21H24Cl2N4O2 |
IUPAC Name |
(2s)-2-amino-3-[5-[bis(2-chloroethyl)amino]-1-(p-tolyl)benzimidazol-1-ium-2-yl]propanoic acid |
Molecular Mass |
435.347 g·mol−1 |
Heat of Formation |
-205.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.39 ± 1.08 D |
Volume |
501.58 Å 3 |
Surface Area |
425.28 Å 2 |
HOMO Energy |
-8.33 ± 0.55 eV |
LUMO Energy |
-0.59 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SBKDMSMCCHEKFB-KRWDZBQOSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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