Geometry & MOs

Info

ID:

215150

PubChem CID:

85084271

Reduced:

N2O9C41H64 (1)

Stoich.:

A2B9C41D64 (1)

Weight, g/mol:

728.522719

ΔHf, kcal/mol:

-398.22

Dipole, Da:

4.42

IP(EA), eV:

 -9.12(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-[10,13-dimethyl-3,7,12-tris(oxan-2-yloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoate

Drug info:

PubChemData

Smile

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCCNCC4=CC=CC=C4)C)C)C(=C)CO2)C

DOS

IR

Vibrations