Geometry & MOs

Info

ID:

170587

PubChem CID:

75256625

Reduced:

SO3N5C28H33 (1)

Stoich.:

AB3C5D28E33 (1)

Weight, g/mol:

519.230411

ΔHf, kcal/mol:

22.26

Dipole, Da:

13.11

IP(EA), eV:

 -6.99(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazolidin-3-yl]sulfanyl]-N'-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations