Geometry & MOs

Info

ID:	63724
PubChem CID:	26759050
Reduced:	ClNF3O5H17C19 (1)
Stoich.:	ABC3D5E17F19 (1)
Weight, g/mol:	431.074735
ΔH_f, kcal/mol:	-327.95
Dipole, Da:	5.92
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations