[(1R)-1-Phenylethyl] (4R)-2,6-Dimethyl-5-Nitro-4-(7H-Thieno[3,2-C]Pyridin-5-Ium-7-Id-3-Yl)-1,4-Dihydropyridine-3-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H22N3O4S
IUPAC Name [(1r)-1-phenylethyl] (4r)-2,6-dimethyl-5-nitro-4-(7h-thieno[3,2-c]pyridin-5-ium-7-id-3-yl)-1,4-dihydropyridine-3-carboxylate
Molecular Mass 436.503 g·mol−1
Heat of Formation -83.9 ± 16.7 kJ·mol−1
Dipole Moment 10.41 ± 1.08 D
Volume 506.56 Å 3
Surface Area 379.7 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
InChIKey YYUVWBDEOCSTKN-VFNWGFHPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N