Geometry & MOs

Info

ID:	181273
PubChem CID:	76726662
Reduced:	S2Cl3O4C26H31 (1)
Stoich.:	A2B3C4D26E31 (1)
Weight, g/mol:	298.00659
ΔH_f, kcal/mol:	-193.44
Dipole, Da:	0.57
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(iodomethyl)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(S1)CCCC2C(CC(C2CSC3=CC(=CC(=C3)Cl)Cl)OC4CCCCO4)Cl

DOS

IR

Vibrations