Geometry & MOs

Info

ID:	182036
PubChem CID:	76832480
Reduced:	YS2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	434.116293
ΔH_f, kcal/mol:	148.33
Dipole, Da:	3.27
IP(EA), eV:	-5.75(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C2=CC=[C-]S2)C.[Y]

DOS

IR

Vibrations