Geometry & MOs

Info

ID:	217820
PubChem CID:	85088432
Reduced:	O8C21H22 (1)
Stoich.:	A8B21C22 (1)
Weight, g/mol:	402.110338
ΔH_f, kcal/mol:	-279.12
Dipole, Da:	4.01
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4'-acetyl-5'-hydroxy-3-phenylspiro[3,4-dihydroisochromene-1,2'-3H-1-benzofuran]-5,8-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)O)C2C3C(CO2)C(OC3=O)C4=CC(=C(C(=C4)OC)OC)O

DOS

IR

Vibrations