Geometry & MOs

Info

ID:	217592
PubChem CID:	85088074
Reduced:	O5C23H24 (1)
Stoich.:	A5B23C24 (1)
Weight, g/mol:	380.075216
ΔH_f, kcal/mol:	-136.82
Dipole, Da:	5.68
IP(EA), eV:	-8.47(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(3',8'a-dimethyl-4'-oxospiro[1,3-dioxolane-2,6'-5,9-dihydro-4aH-benzo[f][1]benzofuran]-9'-yl) methylsulfanylmethanethioate

Drug info:

PubChemData

Smile

CC1(C=CC2=C(C(=C(C=C2O1)OC)C(=CC(=O)C3=CC=CC=C3)OC)OC)C

DOS

IR

Vibrations