Geometry & MOs

Info

ID:	193709
PubChem CID:	78427398
Reduced:	SO2N3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	336.068097
ΔH_f, kcal/mol:	50.93
Dipole, Da:	4.78
IP(EA), eV:	-8.86(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-pyridin-4-yl-7-pyridin-3-yloxythieno[2,3-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C(=N1)OC3=CC=CC=C3)SC=C2C4=CC=NC=C4

DOS

IR

Vibrations