Geometry & MOs

Info

ID:

305218

PubChem CID:

124767611

Reduced:

I3O3N4H37C38 (1)

Stoich.:

A3B3C4D37E38 (1)

Weight, g/mol:

526.263171

ΔHf, kcal/mol:

60.94

Dipole, Da:

3.63

IP(EA), eV:

 -9.04(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,13R,14R,17Z)-17-[(Z)-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)[C@@H]2C=C(O[C@@]([C@H]2[C@@H](CC(=O)C3=CC=C(C=C3)I)C4=CN(N=C4C)CC)(C5=CC=C(C=C5)I)O)C6=CC=C(C=C6)I

DOS

IR

Vibrations