Geometry & MOs

Info

ID:

384823

PubChem CID:

134977744

Reduced:

PSeO9N10C20H24 (1)

Stoich.:

ABC9D10E20F24 (1)

Weight, g/mol:

742.015635

ΔHf, kcal/mol:

-237.7

Dipole, Da:

19.37

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763666

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=[Se])([O-])O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC6=C5NC(=NC6=O)N)O

DOS

IR

Vibrations