Geometry & MOs

Info

ID:	330216
PubChem CID:	127247203
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-65.54
Dipole, Da:	2.95
IP(EA), eV:	-9.97(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methylpyridin-2-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)CC3=CN=CC=C3

DOS

IR

Vibrations