Geometry & MOs

Info

ID:

425609

PubChem CID:

135126951

Reduced:

ClN2O4C20H21 (1)

Stoich.:

AB2C4D20E21 (1)

Weight, g/mol:

454.196709

ΔHf, kcal/mol:

-94.12

Dipole, Da:

3.07

IP(EA), eV:

 -9.31(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(10R,13S,17R)-3,17-dihydroxy-10,13-dimethyl-6-(trifluoromethyl)-3,6,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CCN1[C@@H](CCN(C1=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations