Geometry & MOs

Info

ID:	51697
PubChem CID:	12014413
Reduced:	SN6O6H22C26 (1)
Stoich.:	AB6C6D22E26 (1)
Weight, g/mol:	501.147075
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	7.14
IP(EA), eV:	-8.87(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(1-acetyl-5-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)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations