Geometry & MOs

Info

ID:	38596
PubChem CID:	8137169
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	1.79
IP(EA), eV:	-8.81(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-phenoxypropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations