Geometry & MOs

Info

ID:	49982
PubChem CID:	11538585
Reduced:	O5C9H12 (2)
Stoich.:	A5B9C12 (2)
Weight, g/mol:	400.188589
ΔH_f, kcal/mol:	-407.22
Dipole, Da:	0.7
IP(EA), eV:	-10.28(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'R,4'S,5'S,6'R)-6'-(hydroxymethyl)-5-[(4-propan-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCC#C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations