Geometry & MOs

Info

ID:	158270
PubChem CID:	56463264
Reduced:	BrSN2O4C15H19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	406.052084
ΔH_f, kcal/mol:	-157.5
Dipole, Da:	4.46
IP(EA), eV:	-9.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorobenzoyl)-N-(2-ethylsulfonylethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CC(=O)N(C1)C2=CC=CC=C2Br

DOS

IR

Vibrations