Geometry & MOs

Info

ID:	283581
PubChem CID:	103990328
Reduced:	SCl2N2O2C13H14 (1)
Stoich.:	AB2C2D2E13F14 (1)
Weight, g/mol:	375.96479
ΔH_f, kcal/mol:	-56.73
Dipole, Da:	6.19
IP(EA), eV:	-10.1(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations