Geometry & MOs

Info

ID:

223754

PubChem CID:

85335528

Reduced:

Cl2O3N4H24C28 (1)

Stoich.:

A2B3C4D24E28 (1)

Weight, g/mol:

534.122546

ΔHf, kcal/mol:

-8.81

Dipole, Da:

1.76

IP(EA), eV:

 -8.4(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-cyclopropyl-5-[4-[(2,6-dichlorobenzoyl)amino]-6-oxocyclohexa-2,4-dien-1-ylidene]-N-[(4-methylphenyl)methyl]-1H-pyrazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)N2C(=CC(=C3C=CC(=CC3=O)NC(=O)C4=C(C=CC=C4Cl)Cl)N2)C5CC5

DOS

IR

Vibrations