Geometry & MOs

Info

ID:	34272
PubChem CID:	7890587
Reduced:	ClNO5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	411.08735
ΔH_f, kcal/mol:	-135.0
Dipole, Da:	6.51
IP(EA), eV:	-8.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=C3O)Cl

DOS

IR

Vibrations