Geometry & MOs

Info

ID:	126692
PubChem CID:	50973314
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	310.088832
ΔH_f, kcal/mol:	-38.44
Dipole, Da:	3.53
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)C(=C(N2)C(=O)N(CCO)CC3=NC=CS3)C)C

DOS

IR

Vibrations