Geometry & MOs

Info

ID:	283577
PubChem CID:	103990313
Reduced:	FSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	361.97583
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	5.54
IP(EA), eV:	-10.17(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-4-methylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations