Geometry & MOs

Info

ID:	136954
PubChem CID:	52128372
Reduced:	SN2O4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	353.043041
ΔH_f, kcal/mol:	-90.26
Dipole, Da:	9.0
IP(EA), eV:	-9.51(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations