Geometry & MOs

Info

ID:

44903

PubChem CID:

10506459

Reduced:

PN3O3C31H40 (1)

Stoich.:

AB3C3D31E40 (1)

Weight, g/mol:

533.277738

ΔHf, kcal/mol:

-112.2

Dipole, Da:

12.02

IP(EA), eV:

 -7.14(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(8R,9S,13S,14S,17S)-3,17-bis(methoxymethoxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl]ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCCP(=NC1=C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)(CCCC)CCCC

DOS

IR

Vibrations