Geometry & MOs

Info

ID:	399659
PubChem CID:	135041565
Reduced:	O5C10H14 (1)
Stoich.:	A5B10C14 (1)
Weight, g/mol:	298.12388
ΔH_f, kcal/mol:	-208.14
Dipole, Da:	1.93
IP(EA), eV:	-10.47(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-2-hydroxy-3-methylhept-6-enyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@H]2CC[C@@H]1O2)C(=O)OC

DOS

IR

Vibrations