Geometry & MOs

Info

ID:	139883
PubChem CID:	52611478
Reduced:	ClO2N3C23H36 (1)
Stoich.:	AB2C3D23E36 (1)
Weight, g/mol:	438.101621
ΔH_f, kcal/mol:	-121.13
Dipole, Da:	2.37
IP(EA), eV:	-8.65(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)NCCCCN1CCC(CC1)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations