Geometry & MOs

Info

ID:	330214
PubChem CID:	127247201
Reduced:	SN3O3C15H23 (1)
Stoich.:	AB3C3D15E23 (1)
Weight, g/mol:	326.050733
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	3.15
IP(EA), eV:	-9.82(-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]-(1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)CC3CCCC3

DOS

IR

Vibrations