Geometry & MOs

Info

ID:

193659

PubChem CID:

78420366

Reduced:

FP2N5O17C41H68 (1)

Stoich.:

AB2C5D17E41F68 (1)

Weight, g/mol:

438.165168

ΔHf, kcal/mol:

-926.71

Dipole, Da:

11.69

IP(EA), eV:

 -9.52(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[2-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2CC(C(=O)NC2=O)F)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O

DOS

IR

Vibrations