Geometry & MOs

Info

ID:	217424
PubChem CID:	85087797
Reduced:	O4H22C23 (1)
Stoich.:	A4B22C23 (1)
Weight, g/mol:	362.118795
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	4.73
IP(EA), eV:	-10.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'a-(benzenesulfinylmethyl)-5,5-dimethylspiro[1,3-dioxane-2,4'-3,3a-dihydrocyclopenta[b]furan]-2'-one

Drug info:

PubChemData

Smile

C1CCC2(C1)C=CC(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations