Geometry & MOs

Info

ID:	280018
PubChem CID:	103846374
Reduced:	NO2S2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	243.1293
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	4.89
IP(EA), eV:	-8.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-5-(2-methyloxolan-3-yl)sulfinylpentanenitrile

Drug info:

PubChemData

Smile

CCCCCSCCS(=O)(=O)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations