Geometry & MOs

Info

ID:

234166

PubChem CID:

92297853

Reduced:

Cl2O6N7H19C22 (1)

Stoich.:

A2B6C7D19E22 (1)

Weight, g/mol:

547.077387

ΔHf, kcal/mol:

-66.25

Dipole, Da:

2.06

IP(EA), eV:

 -9.13(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-8-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C\C3=CC=C(C=C3)[N+](=O)[O-])C[C@@H](COC4=C(C=C(C=C4)Cl)Cl)O

DOS

IR

Vibrations