Geometry & MOs

Info

ID:

144137

PubChem CID:

53319349

Reduced:

NH8C10 (2)

Stoich.:

AB8C10 (2)

Weight, g/mol:

532.376389

ΔHf, kcal/mol:

119.54

Dipole, Da:

7.76

IP(EA), eV:

 -7.9(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5R,7R,8R,9R,10S,13S,17R)-17-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CN1/C(=C/C=C/2\C=NC3=CC=CC=C32)/C=CC4=CC=CC=C41

DOS

IR

Vibrations