Geometry & MOs

Info

ID:	51696
PubChem CID:	12014412
Reduced:	SN5O5H23C26 (1)
Stoich.:	AB5C5D23E26 (1)
Weight, g/mol:	546.132154
ΔH_f, kcal/mol:	-53.29
Dipole, Da:	0.42
IP(EA), eV:	-8.69(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[1-acetyl-5-(4-nitrophenyl)-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)O)C5=CC=CC=C5

DOS

IR

Vibrations