Geometry & MOs

Info

ID:	269223
PubChem CID:	103616437
Reduced:	ClSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	4.37
IP(EA), eV:	-10.21(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methylbutylsulfonyl)ethoxy]benzonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)CCCNS(=O)(=O)C2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations