Geometry & MOs

Info

ID:

229642

PubChem CID:

87568284

Reduced:

I3N3O7C16H19 (2)

Stoich.:

A3B3C7D16E19 (2)

Weight, g/mol:

475.949455

ΔHf, kcal/mol:

-434.64

Dipole, Da:

13.57

IP(EA), eV:

 -9.25(-2.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1,2,2,3,3-pentafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropyl]phosphonic acid

Drug info:

PubChemData

Smile

CN(CC(CN(CCO)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)CO)I)O)C(=O)C2=C(C(=C(C(=C2I)NC(=O)CO)I)C(=O)N(CCCO)O)I

DOS

IR

Vibrations