Geometry & MOs

Info

ID:	385479
PubChem CID:	134979196
Reduced:	BCO2H3 (2)
Stoich.:	ABC2D3 (2)
Weight, g/mol:	244.149701
ΔH_f, kcal/mol:	-286.34
Dipole, Da:	4.44
IP(EA), eV:	-10.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl (3R)-3-cyclohexyl-3-hydroxypropanethioate

Drug info:

PubChemData

Smile

B(/C=C\B(O)O)(O)O

DOS

IR

Vibrations