Geometry & MOs

Info

ID:	152995
PubChem CID:	56312103
Reduced:	SN2O4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	405.09139
ΔH_f, kcal/mol:	-97.87
Dipole, Da:	8.17
IP(EA), eV:	-8.72(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-cyano-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NCC3CCN(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations