Geometry & MOs

Info

ID:	38577
PubChem CID:	8137128
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-82.14
Dipole, Da:	5.48
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations