Geometry & MOs

Info

ID:	83286
PubChem CID:	49857403
Reduced:	S2O4N5C22H31 (1)
Stoich.:	A2B4C5D22E31 (1)
Weight, g/mol:	371.141596
ΔH_f, kcal/mol:	-161.34
Dipole, Da:	7.74
IP(EA), eV:	-8.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)NC(=O)C2=C(SC(=C2)C3CCCN3C(=O)[C@H](C)NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations