Geometry & MOs

Info

ID:	85009
PubChem CID:	49871293
Reduced:	O5H12C15 (1)
Stoich.:	A5B12C15 (1)
Weight, g/mol:	272.068473
ΔH_f, kcal/mol:	-171.48
Dipole, Da:	3.27
IP(EA), eV:	-9.72(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-5,7-dihydroxy-3-[(R)-hydroxy(phenyl)methyl]-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@@H](C3=C(C(=CC(=C3)O)O)C(=O)O2)O

DOS

IR

Vibrations