Geometry & MOs

Info

ID:	133053
PubChem CID:	51468229
Reduced:	Cl2O3N5H17C20 (1)
Stoich.:	A2B3C5D17E20 (1)
Weight, g/mol:	420.08116
ΔH_f, kcal/mol:	-36.21
Dipole, Da:	5.3
IP(EA), eV:	-9.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-(2-chlorophenyl)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)N(N=N3)CC(=O)NCC4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations