Geometry & MOs

Info

ID:	367494
PubChem CID:	127324826
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	-83.87
Dipole, Da:	1.67
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[(1,4,6-trimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)methyl]thiolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)C)CNC(=O)CC(C)C3CCCCC3

DOS

IR

Vibrations