Geometry & MOs

Info

ID:

296797

PubChem CID:

117593517

Reduced:

N2O8C27H30 (1)

Stoich.:

A2B8C27D30 (1)

Weight, g/mol:

848.449948

ΔHf, kcal/mol:

-259.45

Dipole, Da:

10.2

IP(EA), eV:

 -8.64(-0.79)

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;16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

Drug info:

PubChemData

Smile

CC(=CCC1=C2C(=C3C(=C1OC)C(=C(C(=O)O3)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C.C(=O)(N)NO

DOS

IR

Vibrations