Geometry & MOs

Info

ID:

169571

PubChem CID:

75120864

Reduced:

SI2O2N5H23C24 (1)

Stoich.:

AB2C2D5E23F24 (1)

Weight, g/mol:

698.96619

ΔHf, kcal/mol:

135.29

Dipole, Da:

37.04

IP(EA), eV:

 -6.82(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(3,5-diiodo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazolidin-3-yl]sulfanyl]acetohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2NNC([NH+]2C3=CC=CC=C3)SCC(=O)NN=CC4=C(C(=CC(=C4)I)I)[O-]

DOS

IR

Vibrations