Geometry & MOs

Info

ID:	330207
PubChem CID:	127247194
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	320.094312
ΔH_f, kcal/mol:	-107.12
Dipole, Da:	6.2
IP(EA), eV:	-9.3(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)CC3CCOCC3

DOS

IR

Vibrations