Geometry & MOs

Info

ID:	152094
PubChem CID:	56310951
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	422.1334
ΔH_f, kcal/mol:	-21.39
Dipole, Da:	4.77
IP(EA), eV:	-9.37(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenylbutyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)S(=O)(=O)NCCC(C)C3=CC=CC=C3)C=CC=N2

DOS

IR

Vibrations