Geometry & MOs

Info

ID:	304302
PubChem CID:	124507232
Reduced:	BrOC4H5 (1)
Stoich.:	ABC4D5 (1)
Weight, g/mol:	302.188195
ΔH_f, kcal/mol:	-11.13
Dipole, Da:	3.02
IP(EA), eV:	-10.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]1Br)C=O

DOS

IR

Vibrations