Geometry & MOs

Info

ID:	51703
PubChem CID:	12014424
Reduced:	SN4O4H18C24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	501.147075
ΔH_f, kcal/mol:	21.94
Dipole, Da:	5.94
IP(EA), eV:	-8.65(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[5-[4-(dimethylamino)phenyl]-1,2-oxazol-3-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=NOC(=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations