Geometry & MOs

Info

ID:

296856

PubChem CID:

117597141

Reduced:

O7C22H28 (1)

Stoich.:

A7B22C28 (1)

Weight, g/mol:

1470.848649

ΔHf, kcal/mol:

-265.26

Dipole, Da:

6.55

IP(EA), eV:

 -8.86(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-cyclopent-2-en-1-yltridecanoic acid;[3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 10-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

CCCC=CC=CC1CC(C(C(=O)C1C=O)O)O.CC(=O)OC1=CC=C(C=C1)O

DOS

IR

Vibrations