Geometry & MOs

Info

ID:	44937
PubChem CID:	10506670
Reduced:	SN2O6H26C30 (1)
Stoich.:	AB2C6D26E30 (1)
Weight, g/mol:	542.264154
ΔH_f, kcal/mol:	-137.63
Dipole, Da:	4.45
IP(EA), eV:	-8.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[3-(4-cyano-4-phenylpiperidin-1-yl)propyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C2C3=CC=CC=C3N(C2=C(C(=C1C(=O)OC)C(=O)OC)NCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations