Geometry & MOs

Info

ID:	82928
PubChem CID:	49856823
Reduced:	SO3N6C20H26 (1)
Stoich.:	AB3C6D20E26 (1)
Weight, g/mol:	411.18413
ΔH_f, kcal/mol:	-49.4
Dipole, Da:	5.99
IP(EA), eV:	-8.42(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations