Geometry & MOs

Info

ID:	330228
PubChem CID:	127247215
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	350.104876
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	10.39
IP(EA), eV:	-9.67(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxypyridin-3-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)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations