Geometry & MOs

Info

ID:

186614

PubChem CID:

77455758

Reduced:

N5O5C36H43 (1)

Stoich.:

A5B5C36D43 (1)

Weight, g/mol:

436.35526

ΔHf, kcal/mol:

-165.29

Dipole, Da:

9.63

IP(EA), eV:

 -8.73(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,3,5,6-tetrol

Drug info:

PubChemData

Smile

CN1CCCC(C(=O)N2CC(CC2COC3=CC=CC(=C3)C1=O)NC(=O)CC4=CC5=CC=CC=C5C=C4)NC(=O)CN6CCCC6

DOS

IR

Vibrations