Geometry & MOs

Info

ID:	68087
PubChem CID:	46507735
Reduced:	SO2N5H29C30 (1)
Stoich.:	AB2C5D29E30 (1)
Weight, g/mol:	420.010219
ΔH_f, kcal/mol:	28.83
Dipole, Da:	4.73
IP(EA), eV:	-8.63(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-6-(4-chlorophenyl)sulfonylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C3=C(C(=NC=N3)N4CCC(CC4)C(=O)NCC5=CC(=CC=C5)OC)SC2=N1)C6=CC=CC=C6

DOS

IR

Vibrations