Geometry & MOs

Info

ID:	401494
PubChem CID:	135051440
Reduced:	BrOS3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	398.046893
ΔH_f, kcal/mol:	32.85
Dipole, Da:	2.75
IP(EA), eV:	-8.41(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,8-bis(4-methoxyphenyl)-1lambda4,2,9-trithiatricyclo[5.2.1.04,10]deca-1(10),3,7-triene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSS(=C2SCC(=O)C3=CC=CC=C3)Br

DOS

IR

Vibrations