Geometry & MOs

Info

ID:

223776

PubChem CID:

85335556

Reduced:

ClSN4O4C27H37 (1)

Stoich.:

ABC4D4E27F37 (1)

Weight, g/mol:

548.138196

ΔHf, kcal/mol:

-165.6

Dipole, Da:

1.49

IP(EA), eV:

 -8.63(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(CCN1CCCCC1)C(=O)C(C)N2CCC(C2=O)NS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

DOS

IR

Vibrations