Geometry & MOs

Info

ID:	330203
PubChem CID:	127247190
Reduced:	SO2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	293.094646
ΔH_f, kcal/mol:	-5.32
Dipole, Da:	3.87
IP(EA), eV:	-9.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations