Geometry & MOs

Info

ID:	298239
PubChem CID:	117648108
Reduced:	BrNH8C13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	653.217721
ΔH_f, kcal/mol:	141.51
Dipole, Da:	0.41
IP(EA), eV:	-8.03(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-9-[10-(4-phenylphenyl)anthracen-9-yl]fluoreno[4,3-b][1]benzothiole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C5=C(N4C6=CC=CC=C6)C=CC(=C5)Br

DOS

IR

Vibrations