Geometry & MOs

Info

ID:

388795

PubChem CID:

134990232

Reduced:

SN2O11C28H44 (1)

Stoich.:

AB2C11D28E44 (1)

Weight, g/mol:

496.14605

ΔHf, kcal/mol:

-467.84

Dipole, Da:

2.59

IP(EA), eV:

 -8.59(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-bromo-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CCCCCCCN(CCCC(O)C1=CC=C(C=C1)NS(=O)(=O)C)CC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations