Geometry & MOs

Info

ID:	329299
PubChem CID:	126734384
Reduced:	SN4O7C30H40 (1)
Stoich.:	AB4C7D30E40 (1)
Weight, g/mol:	766.284495
ΔH_f, kcal/mol:	-253.03
Dipole, Da:	10.47
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyano-N-[9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]anilino)benzonitrile

Drug info:

PubChemData

Smile

CN1CC(C1)CN(C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC3C4CC5CC3OC5OC4)O)S(=O)(=O)C6=CC=C(C=C6)N

DOS

IR

Vibrations