Geometry & MOs

Info

ID:

432972

PubChem CID:

135173109

Reduced:

N4H30C45 (1)

Stoich.:

A4B30C45 (1)

Weight, g/mol:

323.068825

ΔHf, kcal/mol:

247.61

Dipole, Da:

2.47

IP(EA), eV:

 -8.99(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3-hydroxy-5-oxo-3,4-dihydro-2H-1,2,4-triazin-6-yl)sulfanyl]-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)C5=C6C7=CC=CC=C7C(C6=CC=C5)(C8=CC=CC=C8)C9=CN=CC=C9

DOS

IR

Vibrations