Geometry & MOs

Info

ID:	165204
PubChem CID:	74516243
Reduced:	S2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	281.103851
ΔH_f, kcal/mol:	160.21
Dipole, Da:	5.3
IP(EA), eV:	-8.85(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[[(2-methyl-3-phenylprop-2-enylidene)amino]carbamoyl]pyridazin-3-olate

Drug info:

PubChemData

Smile

CC(=C1C(=N)C(SC1=NC(=C)CC=CC=CC=C)C#N)C2=CC=CS2

DOS

IR

Vibrations