Geometry & MOs

Info

ID:

191524

PubChem CID:

78157954

Reduced:

O6H32C35 (1)

Stoich.:

A6B32C35 (1)

Weight, g/mol:

840.0571

ΔHf, kcal/mol:

-131.98

Dipole, Da:

7.22

IP(EA), eV:

 -8.91(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[3,4-dihydroxy-5-(5-oxo-1,7-dihydroimidazo[1,2-c]pyrimidin-6-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [[[3,4-dihydroxy-5-(5-oxo-1,7-dihydroimidazo[1,2-c]pyrimidin-6-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(=CCCC1(C=CC2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC4=C(C=C3)OC(=C4)C(=O)C5=CC=C(C=C5)OC)C)C

DOS

IR

Vibrations