Geometry & MOs

Info

ID:

299339

PubChem CID:

117682692

Reduced:

NO6C28H37 (1)

Stoich.:

AB6C28D37 (1)

Weight, g/mol:

1094.581416

ΔHf, kcal/mol:

-213.04

Dipole, Da:

2.48

IP(EA), eV:

 -8.68(-0.74)

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-[2-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]carbonyl-6-(2-formyl-4,5-dihydroxy-6-methoxyoxan-3-yl)oxy-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)CCC(=O)ON2C(=O)CCC2=O)\C)/C

DOS

IR

Vibrations