Geometry & MOs

Info

ID:

325109

PubChem CID:

126680901

Reduced:

N4O8C27H36 (1)

Stoich.:

A4B8C27D36 (1)

Weight, g/mol:

528.454246

ΔHf, kcal/mol:

-257.83

Dipole, Da:

9.36

IP(EA), eV:

 -9.37(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,10R,17R)-10-ethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,8,9,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-ethoxy-4-methylpentanoate

Drug info:

PubChemData

Smile

CCOCC1=C(C(=CC=C1)COC(=O)NCCCCCCNC(=O)C)NC(=O)OCC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations