Geometry & MOs

Info

ID:	276957
PubChem CID:	103825962
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-40.8
Dipole, Da:	6.59
IP(EA), eV:	-10.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-(3-methylbutan-2-ylsulfonylmethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)CCS(=O)(=O)CC1=CC(=NC=C1)C#N

DOS

IR

Vibrations