Geometry & MOs

Info

ID:	122517
PubChem CID:	50810177
Reduced:	ClSO2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	405.088019
ΔH_f, kcal/mol:	20.81
Dipole, Da:	7.64
IP(EA), eV:	-8.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C3=NC(=O)CC(C3=C(N2)C)C(=O)C4=CC=C(S4)Cl)C

DOS

IR

Vibrations