Geometry & MOs

Info

ID:	409058
PubChem CID:	135081832
Reduced:	SO6C12H16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	274.283181
ΔH_f, kcal/mol:	-226.32
Dipole, Da:	3.88
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,7S,10R)-8-(2,3-dimethylbutan-2-yl)-8-boratricyclo[8.4.0.02,7]tetradecane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[S@@](=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

DOS

IR

Vibrations