Geometry & MOs

Info

ID:	38716
PubChem CID:	8137811
Reduced:	ClO3N4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	355.124215
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	5.37
IP(EA), eV:	-9.54(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations