Geometry & MOs

Info

ID:

16792

PubChem CID:

476876

Reduced:

N5O7C24H25 (1)

Stoich.:

A5B7C24D25 (1)

Weight, g/mol:

495.175398

ΔHf, kcal/mol:

-182.61

Dipole, Da:

5.01

IP(EA), eV:

 -9.08(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-].C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

DOS

IR

Vibrations