Geometry & MOs

Info

ID:	228575
PubChem CID:	87565327
Reduced:	OCl2H6C7 (1)
Stoich.:	AB2C6D7 (1)
Weight, g/mol:	1148.45318
ΔH_f, kcal/mol:	-23.89
Dipole, Da:	2.11
IP(EA), eV:	-9.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,15-bis(5-bromothiophen-2-yl)-5,11-bis(2-octyldodecyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2(8),3(16),7(15),9(14)-pentaene-4,6,10,12-tetrone

Drug info:

PubChemData

Smile

C1C=C(C=CC1(C=O)Cl)Cl

DOS

IR

Vibrations