Geometry & MOs

Info

ID:	343307
PubChem CID:	127266480
Reduced:	ClSO2N6H17C21 (1)
Stoich.:	ABC2D6E17F21 (1)
Weight, g/mol:	452.069217
ΔH_f, kcal/mol:	68.22
Dipole, Da:	5.09
IP(EA), eV:	-8.67(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(2E)-2-(4-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=C2N=C(/C(=C/NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)/S2)Cl

DOS

IR

Vibrations