Geometry & MOs

Info

ID:	51701
PubChem CID:	12014418
Reduced:	SO5N6H24C30 (1)
Stoich.:	AB5C6D24E30 (1)
Weight, g/mol:	535.167811
ΔH_f, kcal/mol:	67.75
Dipole, Da:	2.68
IP(EA), eV:	-8.71(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(1,5-diphenyl-3H-pyrazol-2-yl)amino]-4-oxo-3-phenylthieno[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=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

DOS

IR

Vibrations