Geometry & MOs

Info

ID:	37846
PubChem CID:	8025088
Reduced:	NSO2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	406.1021
ΔH_f, kcal/mol:	-16.66
Dipole, Da:	5.28
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-morpholin-4-ylsulfonylphenyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2C=C1)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations