Geometry & MOs

Info

ID:

186018

PubChem CID:

77380480

Reduced:

FPO5C23H31 (1)

Stoich.:

ABC5D23E31 (1)

Weight, g/mol:

198.026883

ΔHf, kcal/mol:

-274.59

Dipole, Da:

4.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759621

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CC(=C(C(C1)(C)C)C(=C)CO[P+](=O)CC(CC(=O)O)O)C2=CC=C(C=C2)F)C

DOS

IR

Vibrations