Geometry & MOs

Info

ID:	298700
PubChem CID:	117654063
Reduced:	SN4O5H26C27 (1)
Stoich.:	AB4C5D26E27 (1)
Weight, g/mol:	516.180898
ΔH_f, kcal/mol:	-106.13
Dipole, Da:	5.13
IP(EA), eV:	-8.62(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(4-fluoro-1-benzofuran-5-yl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CN(C(=O)C2=C1C=NN2C3=CC4=C(C=C3)OCC4)C5=CC=C(C=C5)N6CCSCC6=O

DOS

IR

Vibrations