Geometry & MOs

Info

ID:	121022
PubChem CID:	50753607
Reduced:	N2S2O4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	453.05385
ΔH_f, kcal/mol:	-130.39
Dipole, Da:	7.87
IP(EA), eV:	-8.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CC2=CSC(=N2)COC3=CC=C(C=C3)C

DOS

IR

Vibrations