Geometry & MOs

Info

ID:

176266

PubChem CID:

76021422

Reduced:

FN3O3C36H36 (1)

Stoich.:

AB3C3D36E36 (1)

Weight, g/mol:

444.214803

ΔHf, kcal/mol:

-88.77

Dipole, Da:

7.88

IP(EA), eV:

 -9.12(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-dihydroxy-4-methyl-6-[(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2CCCC2C(=O)NC3=CC=CC=C3C(=NC(CC4=CC(=CC=C4)F)C(=O)O)C5=CC=CC=C5)C

DOS

IR

Vibrations