Formula |
C21H30ClIN6O4 |
IUPAC Name |
1-[2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoyl]-n-[1-(2-chloroacetyl)-4-guanidino-butyl]pyrrolidine-2-carboxamide |
Molecular Mass |
592.858 g·mol−1 |
Heat of Formation |
-634.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.69 ± 1.08 D |
Volume |
592.43 Å 3 |
Surface Area |
442.13 Å 2 |
HOMO Energy |
-8.40 ± 0.55 eV |
LUMO Energy |
2.79 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DRUDCIXYRLXCIP-XHSDSOJGSA-N |
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Elements |
C
Cl
I
H
O
N
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