Geometry & MOs

Info

ID:	427757
PubChem CID:	135162178
Reduced:	ClON4H9C12 (1)
Stoich.:	ABC4D9E12 (1)
Weight, g/mol:	496.189275
ΔH_f, kcal/mol:	55.96
Dipole, Da:	8.48
IP(EA), eV:	-8.99(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(cyanomethyl)-4-[4-oxo-3-(4-propan-2-ylsulfinylanilino)-2H-pyrazolo[4,3-c]pyridin-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=C3C(=CC=NC3=O)NN2)Cl

DOS

IR

Vibrations