Geometry & MOs

Info

ID:	283578
PubChem CID:	103990315
Reduced:	BrN2O2S2C12H15 (1)
Stoich.:	AB2C2D2E12F15 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-41.69
Dipole, Da:	2.41
IP(EA), eV:	-9.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)N2CCC(CC2)(C)C#N

DOS

IR

Vibrations