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 |
2122.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.69 ± 1.08 D |
Volume |
492.7 Å 3 |
Surface Area |
435.56 Å 2 |
HOMO Energy |
-9.03 ± 0.55 eV |
LUMO Energy |
-2.64 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DRUDCIXYRLXCIP-SNMKMGNPSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
I
C
Cl
O
N
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