Geometry & MOs

Info

ID:	133557
PubChem CID:	51548038
Reduced:	NSO3F6H11C16 (1)
Stoich.:	ABC3D6E11F16 (1)
Weight, g/mol:	426.081634
ΔH_f, kcal/mol:	-395.43
Dipole, Da:	5.07
IP(EA), eV:	-9.65(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations