Geometry & MOs

Info

ID:	62677
PubChem CID:	26732715
Reduced:	NF3O4H16C20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	361.03287
ΔH_f, kcal/mol:	-268.03
Dipole, Da:	3.67
IP(EA), eV:	-9.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CC(=O)O2)OCC(=O)NCCC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations