Geometry & MOs

Info

ID:	220629
PubChem CID:	85198095
Reduced:	SO4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	342.095952
ΔH_f, kcal/mol:	-89.23
Dipole, Da:	5.94
IP(EA), eV:	-9.11(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3lambda6,11lambda6-dithiatricyclo[11.2.2.15,9]octadeca-1(16),13(17),14-triene 3,3,11,11-tetraoxide

Drug info:

PubChemData

Smile

C1C2C(C(=O)O2)(OC1SC3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations