Geometry & MOs

Info

ID:

951

PubChem CID:

3574

Reduced:

OC18H29 (4)

Stoich.:

AB18C29 (4)

Weight, g/mol:

1044.887362

ΔHf, kcal/mol:

-276.69

Dipole, Da:

2.88

IP(EA), eV:

 -8.05(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[18-(4-hexadecanoyloxy-2,6,6-trimethylcyclohex-2-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC1CC(=C(C(C1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)OC(=O)CCCCCCCCCCCCCCC)C)C)C)C

DOS

IR

Vibrations