Geometry & MOs

Info

ID:	385976
PubChem CID:	134980451
Reduced:	C8H11 (2)
Stoich.:	A8B11 (2)
Weight, g/mol:	404.365431
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	0.61
IP(EA), eV:	-9.27(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S,6R,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H]1C[C@H]2CCCC3=CC=CC=C3

DOS

IR

Vibrations