Geometry & MOs

Info

ID:

214963

PubChem CID:

85083928

Reduced:

SO7C38H54 (1)

Stoich.:

AB7C38D54 (1)

Weight, g/mol:

655.059409

ΔHf, kcal/mol:

-258.54

Dipole, Da:

3.15

IP(EA), eV:

 -8.32(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[[[5-(2-amino-6-oxo-5H-purin-9-yl)-4-hydroxy-3-[2-(methylamino)benzoyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid

Drug info:

PubChemData

Smile

CC1(CC2(C(CCC1C2OCOC)C(=C)C(CC(C(C)(C)COCC3=CC=C(C=C3)OC)O)SC4=CC=CC=C4)C=C)OCOC

DOS

IR

Vibrations