Geometry & MOs

Info

ID:

432930

PubChem CID:

135173067

Reduced:

SI4O4H30C33 (1)

Stoich.:

AB4C4D30E33 (1)

Weight, g/mol:

376.058989

ΔHf, kcal/mol:

-57.39

Dipole, Da:

1.78

IP(EA), eV:

 -8.91(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(E,3E)-3-[[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]hydrazinylidene]prop-1-enyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)I)C2(CCC(CC2)(C3=CC(=C(C(=C3)C)O)I)C4=CC(=C(C(=C4)I)O)S)C5=CC(=C(C(=C5)C)O)I

DOS

IR

Vibrations