Geometry & MOs

Info

ID:

305257

PubChem CID:

124767816

Reduced:

BrNOSC9H10 (2)

Stoich.:

ABCDE9F10 (2)

Weight, g/mol:

374.24571

ΔHf, kcal/mol:

-57.15

Dipole, Da:

5.09

IP(EA), eV:

 -8.74(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S,8S,9R,10S,13S,14R)-17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=S)S[C@H]2CC(=O)N(C2=O)C3=C(C=C(C=C3)Br)Br)C

DOS

IR

Vibrations