Geometry & MOs

Info

ID:	221991
PubChem CID:	85293233
Reduced:	O5C27H38 (1)
Stoich.:	A5B27C38 (1)
Weight, g/mol:	444.164031
ΔH_f, kcal/mol:	-249.31
Dipole, Da:	4.65
IP(EA), eV:	-9.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithiolan-2-yl)-9,10-bis(methoxymethoxy)-7,7-dimethyl-3a,4,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

Drug info:

PubChemData

Smile

CC(C=C)C1CCC2C1(C(=O)C=C3C2CC(C4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C

DOS

IR

Vibrations