Geometry & MOs

Info

ID:	329311
PubChem CID:	126734480
Reduced:	SO2N6C20H28 (1)
Stoich.:	AB2C6D20E28 (1)
Weight, g/mol:	867.311044
ΔH_f, kcal/mol:	-53.63
Dipole, Da:	6.64
IP(EA), eV:	-8.17(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(CO)NC1=NC(=NC2=C1SCC2)N3CCN(CC3)C4=CC(=O)NC=C4

DOS

IR

Vibrations