Geometry & MOs

Info

ID:	38735
PubChem CID:	8137844
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	369.139865
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	6.86
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC(=CC=C2)C(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations