Geometry & MOs

Info

ID:	386053
PubChem CID:	134980637
Reduced:	WO3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-4.33
Dipole, Da:	2.62
IP(EA), eV:	-6.87(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,6S)-1-benzamido-6-hydroxy-3,4-dimethylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations