Geometry & MOs

Info

ID:	344771
PubChem CID:	127268359
Reduced:	N2S3O4C14H22 (1)
Stoich.:	A2B3C4D14E22 (1)
Weight, g/mol:	391.113667
ΔH_f, kcal/mol:	-144.96
Dipole, Da:	6.87
IP(EA), eV:	-9.08(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1S(=O)(=O)N2CCN(CC2)CC3=CC=CS3

DOS

IR

Vibrations