Geometry & MOs

Info

ID:	55776
PubChem CID:	17396491
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	-161.24
Dipole, Da:	8.4
IP(EA), eV:	-8.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-oxopyrrolidin-1-yl)methyl]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4)OC

DOS

IR

Vibrations