Geometry & MOs

Info

ID:

188412

PubChem CID:

77713243

Reduced:

NO8C39H63 (1)

Stoich.:

AB8C39D63 (1)

Weight, g/mol:

868.491419

ΔHf, kcal/mol:

-372.2

Dipole, Da:

2.82

IP(EA), eV:

 -8.28(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) [3-[(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxycarbonyloxy]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] carbonate

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C.CC(=O)N.C=C(C1CCCCO1)C2CCCCO2

DOS

IR

Vibrations