Geometry & MOs

Info

ID:	60607
PubChem CID:	26697264
Reduced:	ClSN3O3C21H27 (1)
Stoich.:	ABC3D3E21F27 (1)
Weight, g/mol:	412.125692
ΔH_f, kcal/mol:	-68.66
Dipole, Da:	7.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752363
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CC[NH+](CC3)CC)Cl

DOS

IR

Vibrations