Geometry & MOs

Info

ID:

224822

PubChem CID:

85412953

Reduced:

FSO2C14H19 (1)

Stoich.:

ABC2D14E19 (1)

Weight, g/mol:

800.626003

ΔHf, kcal/mol:

-106.26

Dipole, Da:

3.21

IP(EA), eV:

 -8.34(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3,3-trimethyl-2-[3,7,11,15,20,24,28,32-octamethyl-34-(2,6,6-trimethylcyclohexen-1-yl)tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaenyl]cyclohexene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)CC(CCC=C)(CF)O

DOS

IR

Vibrations