Geometry & MOs

Info

ID:	372271
PubChem CID:	131295237
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	212.048487
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	5.04
IP(EA), eV:	-8.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-fluoro-2-hydroxy-4-methylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1CC(S2)C(=O)OC)N

DOS

IR

Vibrations