Geometry & MOs

Info

ID:

146824

PubChem CID:

53755650

Reduced:

SCl2O3N5C26H37 (1)

Stoich.:

AB2C3D5E26F37 (1)

Weight, g/mol:

690.252181

ΔHf, kcal/mol:

-40.62

Dipole, Da:

8.9

IP(EA), eV:

 -9.14(-2.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-3-[1-[(4-dodecoxyphenoxy)sulfinylamino]-2-methylpropan-2-yl]-6-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole

Drug info:

PubChemData

Smile

CCCCCCCCCCCCS(=O)(=O)CCCC1=NN=C2N1NC(=C2N=C3C=C(C(=O)C(=C3)Cl)Cl)C

DOS

IR

Vibrations