Geometry & MOs

Info

ID:	12396
PubChem CID:	136818
Reduced:	S3H12C17 (1)
Stoich.:	A3B12C17 (1)
Weight, g/mol:	312.010114
ΔH_f, kcal/mol:	73.44
Dipole, Da:	2.72
IP(EA), eV:	-8.44(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-diphenyl-1lambda4,2,8-trithiabicyclo[3.3.0]octa-1(5),3,6-triene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=S(S2)SC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations