Geometry & MOs

Info

ID:	32752
PubChem CID:	7847979
Reduced:	ClNO4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-86.83
Dipole, Da:	5.31
IP(EA), eV:	-9.4(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylpentanoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)OCC2=CC(=CC=C2)C#N)OC

DOS

IR

Vibrations