Geometry & MOs

Info

ID:	182038
PubChem CID:	76832482
Reduced:	OS2H20C25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	382.084993
ΔH_f, kcal/mol:	90.46
Dipole, Da:	2.16
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-bis(2-phenylethenyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(C=CC2=CC=CC=C2)(C3=C(SC=C3)C4=CC=CS4)O

DOS

IR

Vibrations