Geometry & MOs

Info

ID:	330210
PubChem CID:	127247197
Reduced:	SN2O2C5H9 (2)
Stoich.:	AB2C2D5E9 (2)
Weight, g/mol:	323.105211
ΔH_f, kcal/mol:	-130.41
Dipole, Da:	6.34
IP(EA), eV:	-10.0(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCC(C1)C2=C(C=NN2)S(=O)(=O)C

DOS

IR

Vibrations