Geometry & MOs

Info

ID:	23503
PubChem CID:	604240
Reduced:	S2H16C19 (1)
Stoich.:	A2B16C19 (1)
Weight, g/mol:	308.069343
ΔH_f, kcal/mol:	77.08
Dipole, Da:	0.44
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-phenyl-11,13-dithiatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene

Drug info:

PubChemData

Smile

C1C2=CC=CC3=C2C(=CC=C3)CSC(S1)C4=CC=CC=C4

DOS

IR

Vibrations