Geometry & MOs

Info

ID:	136950
PubChem CID:	52128200
Reduced:	ClNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	319.082013
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	6.31
IP(EA), eV:	-9.37(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)C(=O)NCCS(=O)(=O)CC2=CC=CC=C2Cl

DOS

IR

Vibrations