Geometry & MOs

Info

ID:	330205
PubChem CID:	127247192
Reduced:	SO2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	310.073576
ΔH_f, kcal/mol:	-6.02
Dipole, Da:	7.38
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C3=NC=NC=C3

DOS

IR

Vibrations