Geometry & MOs

Info

ID:	341710
PubChem CID:	127264403
Reduced:	BrNOSCl2C19H19 (2)
Stoich.:	ABCDE2F19G19 (2)
Weight, g/mol:	919.94456
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	1.6
IP(EA), eV:	-8.74(-1.66)
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-dioctylpyrrolo[3,4-c]pyrrole-3,6-dione

Drug info:

PubChemData

Smile

CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC4=C(C(=CS4)Cl)C(=C3Cl)Br)C1=O)C5=CC6=C(C(=CS6)Cl)C(=C5Cl)Br

DOS

IR

Vibrations