Geometry & MOs

Info

ID:

176657

PubChem CID:

76080066

Reduced:

N3O5C24H37 (1)

Stoich.:

A3B5C24D37 (1)

Weight, g/mol:

508.230847

ΔHf, kcal/mol:

-242.1

Dipole, Da:

2.31

IP(EA), eV:

 -8.14(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4,5-trihydroxy-6-[2-(11-hydroxy-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)NC=C2CC(C(=O)NCCCCCCO)NC(=O)OC(C)(C)C

DOS

IR

Vibrations