Geometry & MOs

Info

ID:	62091
PubChem CID:	26717548
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	426.057169
ΔH_f, kcal/mol:	-1.29
Dipole, Da:	3.94
IP(EA), eV:	-8.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C(=O)NN2C=NC3=C(C2=O)C(=C(S3)C)C

DOS

IR

Vibrations