Geometry & MOs

Info

ID:	264812
PubChem CID:	103492853
Reduced:	ClSN2O3C8H9 (1)
Stoich.:	ABC2D3E8F9 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-95.37
Dipole, Da:	4.64
IP(EA), eV:	-9.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-[[2-(3-methylphenyl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)C1=CSC=N1)Cl

DOS

IR

Vibrations