Geometry & MOs

Info

ID:	12035
PubChem CID:	126490
Reduced:	O7H16C20 (1)
Stoich.:	A7B16C20 (1)
Weight, g/mol:	368.089603
ΔH_f, kcal/mol:	-203.83
Dipole, Da:	5.09
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,6R,6aS)-6-(1,3-benzodioxol-4-yl)-3-(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H](O1)C3=CC4=C(C=C3)OCO4)C(=O)O[C@H]2C5=C6C(=CC=C5)OCO6

DOS

IR

Vibrations