Geometry & MOs

Info

ID:	264814
PubChem CID:	103492945
Reduced:	ClNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	239.038292
ΔH_f, kcal/mol:	-169.6
Dipole, Da:	5.03
IP(EA), eV:	-9.95(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-(3-methylsulfanylpropanoylamino)propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)C12CC3CC(C1)CC(C3)C2)Cl

DOS

IR

Vibrations