Geometry & MOs

Info

ID:	329305
PubChem CID:	126734450
Reduced:	ClSO2N4C13H19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	865.295394
ΔH_f, kcal/mol:	-56.74
Dipole, Da:	3.51
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2,6-bis(3-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile

Drug info:

PubChemData

Smile

CCN(C)C(=O)CCCNC1=NC(=NC2=C1S(=O)CC2)Cl

DOS

IR

Vibrations