Geometry & MOs

Info

ID:	357027
PubChem CID:	127293096
Reduced:	ClSN3O3C18H26 (1)
Stoich.:	ABC3D3E18F26 (1)
Weight, g/mol:	307.225977
ΔH_f, kcal/mol:	-122.01
Dipole, Da:	7.79
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-2-(2-oxoazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(C2)NC(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations