Geometry & MOs

Info

ID:	182959
PubChem CID:	76963292
Reduced:	OH4C5 (2)
Stoich.:	AB4C5 (2)
Weight, g/mol:	556.230847
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	4.52
IP(EA), eV:	-9.43(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-5-acetyloxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl]acetic acid;2-[(2R)-5-acetyloxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]1C(=O)OC3=CC=CC=C23

DOS

IR

Vibrations