Geometry & MOs

Info

ID:	205584
PubChem CID:	80123693
Reduced:	SO2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	-80.42
Dipole, Da:	6.0
IP(EA), eV:	-8.45(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylphenyl)methylsulfinyl]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CS(=O)C(C)CC(=O)C)C

DOS

IR

Vibrations