Geometry & MOs

Info

ID:	63723
PubChem CID:	26759049
Reduced:	NO7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	431.074735
ΔH_f, kcal/mol:	-233.74
Dipole, Da:	3.96
IP(EA), eV:	-7.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations