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

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Properties Simple | Detailed

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
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