Geometry & MOs

Info

ID:

223853

PubChem CID:

85335660

Reduced:

SF2N3O4C32H43 (1)

Stoich.:

AB2C3D4E32F43 (1)

Weight, g/mol:

604.041651

ΔHf, kcal/mol:

-275.29

Dipole, Da:

11.56

IP(EA), eV:

 -8.97(-0.32)

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-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)C3CCC(CC3)(F)F)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations