Geometry & MOs

Info

ID:	432990
PubChem CID:	135173127
Reduced:	ClNH16C24 (1)
Stoich.:	ABC16D24 (1)
Weight, g/mol:	323.068825
ΔH_f, kcal/mol:	105.79
Dipole, Da:	3.27
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-hydroxy-3-oxo-4,5-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(C3=C(C=C(C=C3)Cl)C4=CC=CC=C42)C5=CC=CC=N5

DOS

IR

Vibrations