Geometry & MOs

Info

ID:	51700
PubChem CID:	12014417
Reduced:	SO4N5H25C30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	580.152889
ΔH_f, kcal/mol:	26.86
Dipole, Da:	4.59
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[5-(4-nitrophenyl)-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(N3C4=CC=CC=C4)C5=CC=C(C=C5)O)C6=CC=CC=C6

DOS

IR

Vibrations