Geometry & MOs

Info

ID:

167603

PubChem CID:

74846895

Reduced:

Cl2N5O5H21C28 (1)

Stoich.:

A2B5C5D21E28 (1)

Weight, g/mol:

508.211055

ΔHf, kcal/mol:

-22.56

Dipole, Da:

8.15

IP(EA), eV:

 -9.24(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[5-(3-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-3-(3-phenylpropyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCN2C(=O)C(=CC3=C(NN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=C(C=C(C=C5)Cl)Cl)NC2=O

DOS

IR

Vibrations