Geometry & MOs

Info

ID:

299340

PubChem CID:

117682694

Reduced:

O9C30H43 (2)

Stoich.:

A9B30C43 (2)

Weight, g/mol:

1538.832605

ΔHf, kcal/mol:

-736.61

Dipole, Da:

6.75

IP(EA), eV:

-8.6(-0.23)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] 6-[6-[2-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]carbonyl-6-[2-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]carbonyl-4,5-dihydroxy-6-methoxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-2-formyl-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\COC(=O)C2C(C(C(C(O2)OC3C(C(C(OC3C(=O)OC/C=C(\C)/C=C/C=C(/C)\C=C\C4=C(CCCC4(C)C)C)OC5C(OC(C(C5O)O)OC)C=O)O)O)O)O)OC)\C)/C

DOS

IR

Vibrations