Geometry & MOs

Info

ID:	154192
PubChem CID:	56313597
Reduced:	F3O3N6C23H25 (1)
Stoich.:	A3B3C6D23E25 (1)
Weight, g/mol:	479.064334
ΔH_f, kcal/mol:	-144.22
Dipole, Da:	6.57
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)OCC(F)(F)F

DOS

IR

Vibrations