Geometry & MOs

Info

ID:

184680

PubChem CID:

77192101

Reduced:

N5O5H27C30 (1)

Stoich.:

A5B5C27D30 (1)

Weight, g/mol:

490.191108

ΔHf, kcal/mol:

-19.45

Dipole, Da:

6.86

IP(EA), eV:

 -8.6(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione;1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)C5C(=N4)N(C=N5)C6C(C(C(=C)O6)O)O

DOS

IR

Vibrations