Geometry & MOs

Info

ID:

320181

PubChem CID:

126658564

Reduced:

SO3N5C25H25 (1)

Stoich.:

AB3C5D25E25 (1)

Weight, g/mol:

461.180126

ΔHf, kcal/mol:

-2.76

Dipole, Da:

4.28

IP(EA), eV:

 -9.61(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(7-methyl-6-oxo-3H-purin-9-ium-9-yl)oxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxypropan-2-yl)phosphinic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=C(S3)C(=O)NC(CCCN=C(N)NC#N)C(=O)O

DOS

IR

Vibrations