Methyl 2-(3,6-Diamino-4-Iodo-9H-Xanthen-9-Yl)Benzoate
Properties
Property | Value |
---|---|
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 |
Links | PubChem ChemSpider |
DOI | |
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Elements | I H C O N |