Geometry & MOs

Info

ID:	51705
PubChem CID:	12014427
Reduced:	SN5O5H19C25 (1)
Stoich.:	AB5C5D19E25 (1)
Weight, g/mol:	530.100853
ΔH_f, kcal/mol:	-59.93
Dipole, Da:	9.25
IP(EA), eV:	-8.77(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[6-(4-nitrophenyl)-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=CC(=C4C=CC(=O)C=C4)NC(=O)N3)C5=CC=CC=C5

DOS

IR

Vibrations