Geometry & MOs

Info

ID:	372694
PubChem CID:	131302672
Reduced:	SN2O2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	197.085207
ΔH_f, kcal/mol:	4.78
Dipole, Da:	1.6
IP(EA), eV:	-9.94(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-amino-5-fluoro-4-methylphenyl)acetate

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(S(=O)(=O)C2=C1)CN)C#N

DOS

IR

Vibrations