Geometry & MOs

Info

ID:	67662
PubChem CID:	46506916
Reduced:	NSF2O3H17C23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	494.113413
ΔH_f, kcal/mol:	-123.7
Dipole, Da:	5.98
IP(EA), eV:	-9.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]-4-phenylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)C2=CN(C3=C(S2(=O)=O)C=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations