Geometry & MOs

Info

ID:

15551

PubChem CID:

444004

Reduced:

NaPN4O11C17H24 (1)

Stoich.:

ABC4D11E17F24 (1)

Weight, g/mol:

514.107689

ΔHf, kcal/mol:

-613.07

Dipole, Da:

4.2

IP(EA), eV:

 -9.34(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate;dihydrate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)[O-])O)O)O.O.O.[Na+]

DOS

IR

Vibrations