Geometry & MOs

Info

ID:

188899

PubChem CID:

77781004

Reduced:

NO4C36H53 (1)

Stoich.:

AB4C36D53 (1)

Weight, g/mol:

467.303559

ΔHf, kcal/mol:

-234.88

Dipole, Da:

6.96

IP(EA), eV:

 -8.51(0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl)phenoxy]butanamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2O)C(CC4C3(CCC(=O)C4)C)CCCC5=CC(=CC=C5)OCCCC(=O)N6CCCC6

DOS

IR

Vibrations