Geometry & MOs

Info

ID:	371820
PubChem CID:	131273412
Reduced:	SO2N3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	233.025499
ΔH_f, kcal/mol:	36.94
Dipole, Da:	3.17
IP(EA), eV:	-8.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCC1COC2=C(NOC2=N1)C#N

DOS

IR

Vibrations