Geometry & MOs

Info

ID:	396811
PubChem CID:	135029263
Reduced:	SO3H12C18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	286.097011
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	4.02
IP(EA), eV:	-8.71(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl) 2-diethoxyphosphorylacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=O)C(O2)(C3=CC4=CC=CC=C4S3)O

DOS

IR

Vibrations