Geometry & MOs

Info

ID:	83148
PubChem CID:	49857208
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	11.49
Dipole, Da:	3.29
IP(EA), eV:	-9.21(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(thiophen-2-yl)methyl]-N-[(3S)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)CNC(=O)C2=C3C(=NC=C2)N=C(N3)C(=O)C4=CC=CS4

DOS

IR

Vibrations