Geometry & MOs

Info

ID:	77851
PubChem CID:	49661761
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	476.16489
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	5.14
IP(EA), eV:	-9.06(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonylpyridin-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CN2C(=O)C3=C(C=N2)SCC(=O)N3CC=C)C

DOS

IR

Vibrations