Geometry & MOs

Info

ID:	51698
PubChem CID:	12014414
Reduced:	SO4N5H23C26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	535.108103
ΔH_f, kcal/mol:	-6.5
Dipole, Da:	3.74
IP(EA), eV:	-8.62(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[1-acetyl-5-(4-chlorophenyl)-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=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations