Geometry & MOs

Info

ID:	446786
PubChem CID:	135277689
Reduced:	NOH33C45 (1)
Stoich.:	ABC33D45 (1)
Weight, g/mol:	761.221092
ΔH_f, kcal/mol:	137.33
Dipole, Da:	2.01
IP(EA), eV:	-7.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=C(C=C4C5=CC=CC=C5OC4=C3)C6=CC=CC=C6)C7=C1C=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations