Geometry & MOs

Info

ID:	375472
PubChem CID:	131529849
Reduced:	ClSO2N3H6C7 (1)
Stoich.:	ABC2D3E6F7 (1)
Weight, g/mol:	231.046234
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	3.49
IP(EA), eV:	-11.18(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(5-chloro-4-fluoro-2-methylphenyl)acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC(=CC(=N1)Cl)CC#N

DOS

IR

Vibrations