Geometry & MOs

Info

ID:

169912

PubChem CID:

75166217

Reduced:

F3O5C42H47 (1)

Stoich.:

A3B5C42D47 (1)

Weight, g/mol:

602.044094

ΔHf, kcal/mol:

-212.61

Dipole, Da:

1.19

IP(EA), eV:

 -7.79(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-[4-amino-5-(2-methyltetrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C(C)C=CC=C(C)C=CC=C(C)C=O)OC(=C1)C(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=[OH+])C.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations