Geometry & MOs

Info

ID:	153476
PubChem CID:	56312698
Reduced:	FSN3O5H18C21 (1)
Stoich.:	ABC3D5E18F21 (1)
Weight, g/mol:	493.079984
ΔH_f, kcal/mol:	-131.87
Dipole, Da:	6.61
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfamoyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations