Geometry & MOs

Info

ID:	178005
PubChem CID:	76262021
Reduced:	FSN3O4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	461.117605
ΔH_f, kcal/mol:	-175.84
Dipole, Da:	4.57
IP(EA), eV:	-9.24(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-oxo-6-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCC(C(=O)N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

DOS

IR

Vibrations