Geometry & MOs

Info

ID:	375474
PubChem CID:	131529851
Reduced:	ClSO2N3H6C7 (1)
Stoich.:	ABC2D3E6F7 (1)
Weight, g/mol:	231.046234
ΔH_f, kcal/mol:	-13.76
Dipole, Da:	5.62
IP(EA), eV:	-11.06(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-2-(2-chloro-3-fluoro-6-methylphenyl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations