Geometry & MOs

Info

ID:	330244
PubChem CID:	127247231
Reduced:	SO3N5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	359.072196
ΔH_f, kcal/mol:	-30.73
Dipole, Da:	2.4
IP(EA), eV:	-9.27(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)C(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations