4-Azido-N-[2-[[(2R)-3-[(2-Cyano-3-Iodo-7H-Indol-1-Ium-7-Id-4-Yl)Oxy]-2-Hydroxy-Propyl]Amino]-2-Methyl-Propyl]Benzamide

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Properties Simple | Detailed

Formula C23H25IN7O3
IUPAC Name 4-azido-n-[2-[[(2r)-3-[(2-cyano-3-iodo-7h-indol-1-ium-7-id-4-yl)oxy]-2-hydroxy-propyl]amino]-2-methyl-propyl]benzamide
Molecular Mass 574.394 g·mol−1
Heat of Formation 209.0 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 584.29 Å 3
Surface Area 435.99 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey HWGAYHWCPPGRGV-MRXNPFEDSA-N
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