Geometry & MOs

Info

ID:	329339
PubChem CID:	126734966
Reduced:	FSN2O3C26H27 (1)
Stoich.:	ABC2D3E26F27 (1)
Weight, g/mol:	1005.357994
ΔH_f, kcal/mol:	-132.06
Dipole, Da:	3.93
IP(EA), eV:	-9.21(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(CCN2C(=O)CC(C3=CC=C(C=C3)F)C4=NC5=CC=CC=C5S4)C(=O)O

DOS

IR

Vibrations