Geometry & MOs

Info

ID:

339196

PubChem CID:

127260575

Reduced:

NOSH12C14 (2)

Stoich.:

ABCD12E14 (2)

Weight, g/mol:

540.356323

ΔHf, kcal/mol:

40.93

Dipole, Da:

6.78

IP(EA), eV:

 -8.06(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4R,5R,8R,9S,10R,13S,14S,16S,17S)-3-[benzoyl(hydroxy)amino]-17-[(1S)-1-(dimethylamino)ethyl]-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate

Drug info:

PubChemData

Smile

C=C1CC=CC(=C1SSC2=C(C=CCC2=C)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations