Geometry & MOs

Info

ID:	218283
PubChem CID:	85089125
Reduced:	OSC29H48 (1)
Stoich.:	ABC29D48 (1)
Weight, g/mol:	444.342587
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	3.08
IP(EA), eV:	-8.09(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[12-(3,7-dimethylocta-2,6-dienylsulfanyl)-3,7-dimethyltrideca-3,7,11-trienyl]-2,2-dimethyloxirane

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CSCC=C(C)CCC=C(C)CCC1C(O1)(C)C)C)C)C

DOS

IR

Vibrations