Geometry & MOs

Info

ID:

385224

PubChem CID:

134978569

Reduced:

PF3N5O7C12H12 (1)

Stoich.:

AB3C5D7E12F12 (1)

Weight, g/mol:

430.220283

ΔHf, kcal/mol:

-378.07

Dipole, Da:

3.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763165

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OC(=O)C(F)(F)F)O

DOS

IR

Vibrations