Geometry & MOs

Info

ID:

231522

PubChem CID:

87574027

Reduced:

SO2N7C26H29 (1)

Stoich.:

AB2C7D26E29 (1)

Weight, g/mol:

424.249271

ΔHf, kcal/mol:

46.78

Dipole, Da:

4.66

IP(EA), eV:

 -8.43(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,8R,9R,10R,13S,14S)-3-(2-aminoethoxyimino)-4-ethyl-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=CC=CC=C5S4)C(C=O)N6CCC(C6)O

DOS

IR

Vibrations