Geometry & MOs

Info

ID:	48255
PubChem CID:	10538362
Reduced:	PO4C11H19 (1)
Stoich.:	AB4C11D19 (1)
Weight, g/mol:	246.036208
ΔH_f, kcal/mol:	-229.56
Dipole, Da:	5.49
IP(EA), eV:	-9.18(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(O1)C)P(=O)(OCC)OCC

DOS

IR

Vibrations