Geometry & MOs

Info

ID:

223750

PubChem CID:

85335523

Reduced:

FSO4N5H24C27 (1)

Stoich.:

ABC4D5E24F27 (1)

Weight, g/mol:

532.29238

ΔHf, kcal/mol:

-38.49

Dipole, Da:

4.75

IP(EA), eV:

 -8.82(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[2-cyclohexyl-5-[(2,2-dimethyl-1-phenylpropyl)amino]-3,6-dioxo-1H-pyridazin-4-yl]-[5-(dimethylcarbamoyl)-6-oxocyclohexa-2,4-dien-1-ylidene]azanium

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)C(=NO)N)F

DOS

IR

Vibrations