Geometry & MOs

Info

ID:

388817

PubChem CID:

134990308

Reduced:

NO4C20H21 (1)

Stoich.:

AB4C20D21 (1)

Weight, g/mol:

478.13549

ΔHf, kcal/mol:

-113.34

Dipole, Da:

2.9

IP(EA), eV:

 -8.77(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-bromo-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@@H]2[C@H](CC(O2)N=C=O)OC3=CC=C(C=C3)C

DOS

IR

Vibrations