Geometry & MOs

Info

ID:	126663
PubChem CID:	50972569
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	367.083602
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	6.82
IP(EA), eV:	-8.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(furan-2-yl)-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(S2)CN3C[C@@H]4CNC[C@@]4(C3)C(=O)O

DOS

IR

Vibrations