Geometry & MOs

Info

ID:	381818
PubChem CID:	134972653
Reduced:	SO6C7H10 (1)
Stoich.:	AB6C7D10 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-235.02
Dipole, Da:	2.81
IP(EA), eV:	-10.11(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R,6R)-2-(1-hydroxyethyl)-6-(1H-indol-3-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1C=C(C(=O)O1)OS(=O)(=O)C)O

DOS

IR

Vibrations