Geometry & MOs

Info

ID:	318694
PubChem CID:	126652737
Reduced:	FPSO7C12H18 (1)
Stoich.:	ABCD7E12F18 (1)
Weight, g/mol:	460.075704
ΔH_f, kcal/mol:	-414.74
Dipole, Da:	5.56
IP(EA), eV:	-9.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-6-methylsulfonyl-4-propan-2-ylphenyl)methyl 2-(4-phosphonooxyphenyl)acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)S(=O)(=O)C)COCOP(=O)(O)O)F

DOS

IR

Vibrations