Geometry & MOs

Info

ID:	51702
PubChem CID:	12014419
Reduced:	SO3N5H25C30 (1)
Stoich.:	AB3C5D25E30 (1)
Weight, g/mol:	458.104876
ΔH_f, kcal/mol:	65.72
Dipole, Da:	3.79
IP(EA), eV:	-8.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-oxo-3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)amino]thieno[3,4-d]pyridazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NN3CC=C(N3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations