Geometry & MOs

Info

ID:	283583
PubChem CID:	103990357
Reduced:	BrSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-38.08
Dipole, Da:	7.44
IP(EA), eV:	-9.03(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCN(CC1)S(=O)(=O)C2=CC=CC=C2Br)C#N

DOS

IR

Vibrations