Geometry & MOs

Info

ID:	445047
PubChem CID:	135264390
Reduced:	SN2H22C32 (1)
Stoich.:	AB2C22D32 (1)
Weight, g/mol:	495.176919
ΔH_f, kcal/mol:	157.15
Dipole, Da:	2.11
IP(EA), eV:	-7.97(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1E)-4-(1-phenylbenzimidazol-2-yl)hexa-1,5-dienyl]thieno[2,3-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N4C5=C(C6=C(C=C5)SC=C6)C7=CC=CC=C74

DOS

IR

Vibrations