Geometry & MOs

Info

ID:	121023
PubChem CID:	50753608
Reduced:	FNS3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	458.983577
ΔH_f, kcal/mol:	-131.34
Dipole, Da:	10.52
IP(EA), eV:	-9.6(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations