Geometry & MOs

Info

ID:	224297
PubChem CID:	85341192
Reduced:	NO2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	286.102751
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	5.72
IP(EA), eV:	-10.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-2-(4-methylphenyl)sulfinyl-3-phenyloxirane

Drug info:

PubChemData

Smile

CCCCCC(C[N+](=O)[O-])C(C=CCCCC)[N+](=O)[O-]

DOS

IR

Vibrations