Geometry & MOs

Info

ID:

189374

PubChem CID:

77846677

Reduced:

N2S4C13H15 (2)

Stoich.:

A2B4C13D15 (2)

Weight, g/mol:

360.241293

ΔHf, kcal/mol:

139.77

Dipole, Da:

5.86

IP(EA), eV:

 -8.85(-2.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z,10R,11S,13S,17S)-3-hydroxyimino-17-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-ol

Drug info:

PubChemData

Smile

C1CN(CCN1C(=S)SCC2=CC=CC=C2)C(=S)SSC(=S)N3CCN(CC3)C(=S)SCC4=CC=CC=C4

DOS

IR

Vibrations