Geometry & MOs

Info

ID:	311619
PubChem CID:	126595664
Reduced:	SO2N6C28H44 (1)
Stoich.:	AB2C6D28E44 (1)
Weight, g/mol:	853.320546
ΔH_f, kcal/mol:	-69.12
Dipole, Da:	9.09
IP(EA), eV:	-9.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[N-[9-(4-cyanophenyl)carbazol-3-yl]-4-[4-(4-phenylphenyl)phenyl]anilino]carbazol-9-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=C(S4)C(=O)NC)NC(C5CCCC5)O)C(C)C

DOS

IR

Vibrations