Geometry & MOs

Info

ID:	39762
PubChem CID:	8142190
Reduced:	N2O3C25H36 (1)
Stoich.:	A2B3C25D36 (1)
Weight, g/mol:	387.101955
ΔH_f, kcal/mol:	-174.45
Dipole, Da:	5.92
IP(EA), eV:	-8.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CCNC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C)C(C)(C)C

DOS

IR

Vibrations