Geometry & MOs

Info

ID:	51707
PubChem CID:	12014430
Reduced:	SO4N6H24C27 (1)
Stoich.:	AB4C6D24E27 (1)
Weight, g/mol:	519.076803
ΔH_f, kcal/mol:	-28.02
Dipole, Da:	11.39
IP(EA), eV:	-8.7(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[6-(4-chlorophenyl)-2-oxo-1H-pyrimidin-4-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)NC3=NC(=O)NC(=C3)C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5

DOS

IR

Vibrations