Geometry & MOs

Info

ID:	135678
PubChem CID:	51914026
Reduced:	NO6C25H25 (1)
Stoich.:	AB6C25D25 (1)
Weight, g/mol:	435.168188
ΔH_f, kcal/mol:	-173.21
Dipole, Da:	8.34
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 2,6-dimethoxybenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3OC)OC

DOS

IR

Vibrations