Geometry & MOs

Info

ID:	356532
PubChem CID:	127291712
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	398.04121
ΔH_f, kcal/mol:	-115.21
Dipole, Da:	3.54
IP(EA), eV:	-8.89(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]sulfonylpyridine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2S(=O)(=O)CC34CCC(C3(C)C)CC4=O

DOS

IR

Vibrations