Geometry & MOs

Info

ID:	356455
PubChem CID:	127291528
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	331.110296
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	6.64
IP(EA), eV:	-9.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)S(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations