Geometry & MOs

Info

ID:	19729
PubChem CID:	571448
Reduced:	OS2H20C29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	448.095558
ΔH_f, kcal/mol:	80.63
Dipole, Da:	3.12
IP(EA), eV:	-8.36(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7-tetraphenyl-2-oxa-1lambda4,8-dithiabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(OS3=C2C(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations