Geometry & MOs

Info

ID:	323080
PubChem CID:	126672147
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	434.150267
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	5.98
IP(EA), eV:	-8.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[(4R)-3,4-dihydroxypiperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C3=NN(C=C3)CC4=CC=CC=C4)C#N

DOS

IR

Vibrations