Geometry & MOs

Info

ID:	330215
PubChem CID:	127247202
Reduced:	S2O3N4C12H14 (1)
Stoich.:	A2B3C4D12E14 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-48.1
Dipole, Da:	6.8
IP(EA), eV:	-9.61(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)C3=CSC=N3

DOS

IR

Vibrations