Geometry & MOs

Info

ID:	330225
PubChem CID:	127247212
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	347.097349
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	2.13
IP(EA), eV:	-9.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-cyclopentylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations