Geometry & MOs

Info

ID:

381374

PubChem CID:

134972091

Reduced:

NO2C26H29 (1)

Stoich.:

AB2C26D29 (1)

Weight, g/mol:

542.121297

ΔHf, kcal/mol:

-38.74

Dipole, Da:

3.16

IP(EA), eV:

 -8.39(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,13S,14R,15R,16S,28R)-8,10,14,23,25,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaene-3,12,18,27-tetrone

Drug info:

PubChemData

Smile

CC1=C(OC(OC1C2=CC=CC=C2)CC3=CNC4=CC=CC=C43)C5CCCCC5

DOS

IR

Vibrations