Geometry & MOs

Info

ID:

296802

PubChem CID:

117593781

Reduced:

O11C54H84 (1)

Stoich.:

A11B54C84 (1)

Weight, g/mol:

1507.935296

ΔHf, kcal/mol:

-492.75

Dipole, Da:

4.67

IP(EA), eV:

 -9.65(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,11-dihydroxy-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid;[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate;dodecyl hydrogen sulfate

Drug info:

PubChemData

Smile

CC(=O)OCC(CC(CCCCCCCCCCCC=C)O)O.CC(=O)OCC(CC(CCCCCCCCCCCC#C)O)O.COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2

DOS

IR

Vibrations