Geometry & MOs

Info

ID:	51026
PubChem CID:	12013640
Reduced:	SO2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	318.201737
ΔH_f, kcal/mol:	-87.55
Dipole, Da:	2.6
IP(EA), eV:	-8.25(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)sulfanyl-2-heptyl-3,4-dihydro-2H-pyran

Drug info:

PubChemData

Smile

CCCCCCCC1CCC=C(O1)SC2=CC=C(C=C2)OC

DOS

IR

Vibrations