Geometry & MOs

Info

ID:	63704
PubChem CID:	26759012
Reduced:	NO6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	397.113707
ΔH_f, kcal/mol:	-197.42
Dipole, Da:	9.52
IP(EA), eV:	-8.29(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations