Geometry & MOs

Info

ID:	158561
PubChem CID:	56464178
Reduced:	N2S2O6C17H26 (1)
Stoich.:	A2B2C6D17E26 (1)
Weight, g/mol:	404.107579
ΔH_f, kcal/mol:	-236.66
Dipole, Da:	7.24
IP(EA), eV:	-9.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations