Geometry & MOs

Info

ID:	62678
PubChem CID:	26732716
Reduced:	ClNF3O4H11C15 (1)
Stoich.:	ABC3D4E11F15 (1)
Weight, g/mol:	361.03287
ΔH_f, kcal/mol:	-275.76
Dipole, Da:	5.09
IP(EA), eV:	-9.38(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F)OC(=O)C2=CC=CO2

DOS

IR

Vibrations