Geometry & MOs

Info

ID:	283573
PubChem CID:	103990267
Reduced:	SN2O2C10H18 (1)
Stoich.:	AB2C2D10E18 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	2.94
IP(EA), eV:	-9.83(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-cyano-2-methylphenyl)sulfonyl-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCC(CC1)(C)C#N

DOS

IR

Vibrations