Geometry & MOs

Info

ID:	377258
PubChem CID:	134223303
Reduced:	BrNOSH18C25 (1)
Stoich.:	ABCDE18F25 (1)
Weight, g/mol:	920.351512
ΔH_f, kcal/mol:	80.93
Dipole, Da:	6.44
IP(EA), eV:	-7.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

CS(=O)C1=C(C=CC(=C1)Br)C2=CC3=C4C(=CC=CC4=C2)C=CN3C5=CC=CC=C5

DOS

IR

Vibrations