Methyl 2-(3,6-Diamino-4-Iodo-9H-Xanthen-9-Yl)Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C21H17IN2O3
IUPAC Name methyl 2-[(9s)-3,6-diamino-4-iodo-9h-xanthen-9-yl]benzoate
Molecular Mass 472.276 g·mol−1
Heat of Formation -141.5 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 442.46 Å 3
Surface Area 372.42 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey VXSMFLODMGQAJI-SFHVURJKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N