Geometry & MOs

Info

ID:	283582
PubChem CID:	103990331
Reduced:	BrClSN2O2C13H14 (1)
Stoich.:	ABCD2E2F13G14 (1)
Weight, g/mol:	342.00376
ΔH_f, kcal/mol:	-42.25
Dipole, Da:	6.92
IP(EA), eV:	-10.0(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)sulfonyl-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl)C#N

DOS

IR

Vibrations