Geometry & MOs

Info

ID:	336850
PubChem CID:	127255857
Reduced:	Br2N4O5C65H92 (1)
Stoich.:	A2B4C5D65E92 (1)
Weight, g/mol:	644.1436
ΔH_f, kcal/mol:	-265.5
Dipole, Da:	6.05
IP(EA), eV:	-9.07(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-6-bromo-3-(6-bromo-1-octyl-2-oxoindol-3-ylidene)-1-octylindol-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCCCCCC)CNC(=O)C1=C2C3=C(C4=CC=CC5=C4C(=C(C=C5)Br)C3=C(C6=C2C(=O)NC6=O)C(=O)O)C(=C1C(=NCC(CCCCCCCC)CCCCCCCCCC)N)Br

DOS

IR

Vibrations