Geometry & MOs

Info

ID:

394878

PubChem CID:

135024019

Reduced:

N4O7H22C23 (1)

Stoich.:

A4B7C22D23 (1)

Weight, g/mol:

376.127051

ΔHf, kcal/mol:

-138.34

Dipole, Da:

11.55

IP(EA), eV:

 -9.33(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C1=C(C=C2C(=C1)C3=CC=CC=C3O2)[N+](=O)[O-])NC4=NC(=O)N(C=C4)[C@H]5C[C@H]([C@H](O5)CO)O

DOS

IR

Vibrations