Geometry & MOs

Info

ID:	341709
PubChem CID:	127264402
Reduced:	ClSBr2H5C9 (1)
Stoich.:	ABC2D5E9 (1)
Weight, g/mol:	919.94456
ΔH_f, kcal/mol:	29.67
Dipole, Da:	3.17
IP(EA), eV:	-9.09(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(4-bromo-3,5-dichloro-1-benzothiophen-6-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-3,6-dione

Drug info:

PubChemData

Smile

CC1=C(C2=CC(=C(C=C2S1)Br)Cl)Br

DOS

IR

Vibrations