Geometry & MOs

Info

ID:

11256

PubChem CID:

112538

Reduced:

N4O10C25H30 (1)

Stoich.:

A4B10C25D30 (1)

Weight, g/mol:

546.196193

ΔHf, kcal/mol:

-401.08

Dipole, Da:

8.38

IP(EA), eV:

 -9.88(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-butyl-5-[5-[1-butyl-3-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]penta-1,3-dienyl]-6-hydroxy-2,4-dioxopyrimidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=C(N(C1=O)CC(=O)O)O)C=CC=CC=C2C(=O)N(C(=O)N(C2=O)CC(=O)O)CCCC

DOS

IR

Vibrations