Geometry & MOs

Info

ID:

382639

PubChem CID:

134973913

Reduced:

N2O5C15H20 (1)

Stoich.:

A2B5C15D20 (1)

Weight, g/mol:

440.365431

ΔHf, kcal/mol:

-137.46

Dipole, Da:

3.02

IP(EA), eV:

 -9.93(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/CCC=C=C[C@@H]1COC(O1)(C)C)\[O-])/[N+]#N

DOS

IR

Vibrations