Geometry & MOs

Info

ID:	307180
PubChem CID:	125275626
Reduced:	O3C8H13 (2)
Stoich.:	A3B8C13 (2)
Weight, g/mol:	314.172939
ΔH_f, kcal/mol:	-292.88
Dipole, Da:	4.83
IP(EA), eV:	-10.14(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4R,5S)-5-acetyloxy-3-hydroxy-4-pentan-3-yloxycyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)O[C@@H]1[C@H](CC(=C[C@@H]1O)C(=O)OCC)OC(=O)C

DOS

IR

Vibrations