Geometry & MOs

Info

ID:	51699
PubChem CID:	12014416
Reduced:	ClSO4N5H22C26 (1)
Stoich.:	ABC4D5E22F26 (1)
Weight, g/mol:	551.162725
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	3.97
IP(EA), eV:	-8.74(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[5-(4-hydroxyphenyl)-1-phenyl-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(N3C(=O)C)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations