Geometry & MOs

Info

ID:

226209

PubChem CID:

87350146

Reduced:

NS2H18C30 (2)

Stoich.:

AB2C18D30 (2)

Weight, g/mol:

623.087718

ΔHf, kcal/mol:

253.66

Dipole, Da:

1.82

IP(EA), eV:

 -8.1(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=C(C(=C(C(=C4C5=CC=CC6=C5SC7=CC=CC=C67)N)C8=CC=CC9=C8SC1=CC=CC=C91)C1=CC=CC2=C1SC1=CC=CC=C21)C1=CC=C(C=C1)N

DOS

IR

Vibrations