4-Methylsulfonyl-N-[3-[8-[4-(Morpholine-4-Carbonyl)Anilino]-3,5-Dihydroimidazo[1,2-A]Pyrazine-1,7-Diium-3,5-Diid-6-Yl]Phenyl]Benzamide
Properties
Property | Value |
---|---|
Formula | C31H29N6O5S+ |
IUPAC Name | 4-methylsulfonyl-n-[3-[8-[4-(morpholine-4-carbonyl)anilino]-3,5-dihydroimidazo[1,2-a]pyrazine-1,7-diium-3,5-diid-6-yl]phenyl]benzamide |
Molecular Mass | 597.664 g·mol−1 |
Heat of Formation | -266.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.91 ± 1.08 D |
Volume | 672.17 Å 3 |
Surface Area | 514.69 Å 2 |
HOMO Energy | -8.82 ± 0.55 eV |
LUMO Energy | 1.78 ± eV |
Point Group Symmetry | C1 |
InChIKey | ULBGDNLTMMKIBG-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |