Geometry & MOs

Info

ID:	39205
PubChem CID:	8139915
Reduced:	FO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-103.23
Dipole, Da:	2.55
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC1=CC=CC=C1CN(C)C)NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations