Geometry & MOs

Info

ID:	38561
PubChem CID:	8137072
Reduced:	SN2O2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-68.8
Dipole, Da:	3.0
IP(EA), eV:	-8.55(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCCC(=O)NCC(=O)NC2CC2)C

DOS

IR

Vibrations