Geometry & MOs

Info

ID:	437822
PubChem CID:	135227108
Reduced:	SN2F3O3H17C22 (1)
Stoich.:	AB2C3D3E17F22 (1)
Weight, g/mol:	334.28718
ΔH_f, kcal/mol:	-193.73
Dipole, Da:	3.39
IP(EA), eV:	-8.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[2-[5-[2-(4-methylcyclohex-3-en-1-yl)ethyl]oxan-2-yl]ethyl]oxane

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC)OC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations