Geometry & MOs

Info

ID:	55896
PubChem CID:	17397205
Reduced:	ClN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	312.072177
ΔH_f, kcal/mol:	-126.56
Dipole, Da:	8.64
IP(EA), eV:	-9.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(NC2=O)(C)C3=CC=CC=C3Cl

DOS

IR

Vibrations