Geometry & MOs

Info

ID:	153542
PubChem CID:	56312788
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	420.127441
ΔH_f, kcal/mol:	-34.47
Dipole, Da:	2.74
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-phenylbutyl)-5-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC(C)C3=CC=CC=C3

DOS

IR

Vibrations