Geometry & MOs

Info

ID:	280017
PubChem CID:	103846367
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	297.085721
ΔH_f, kcal/mol:	-80.32
Dipole, Da:	6.95
IP(EA), eV:	-9.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-pentylsulfanylethylsulfonyl)benzonitrile

Drug info:

PubChemData

Smile

CC1C(CCO1)S(=O)(=O)CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations