Geometry & MOs

Info

ID:	330226
PubChem CID:	127247213
Reduced:	S2N3O4C13H21 (1)
Stoich.:	A2B3C4D13E21 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-143.83
Dipole, Da:	7.66
IP(EA), eV:	-9.93(-0.15)
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-phenoxyethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)S(=O)(=O)C3CCCC3

DOS

IR

Vibrations