Geometry & MOs

Info

ID:	446751
PubChem CID:	135277426
Reduced:	NO2H27C42 (1)
Stoich.:	AB2C27D42 (1)
Weight, g/mol:	731.264671
ΔH_f, kcal/mol:	125.15
Dipole, Da:	1.22
IP(EA), eV:	-8.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=C(C=C5C6=CC=CC=C6OC5=C4)C7=CC8=C(C=C7)OC9=CC=CC=C98

DOS

IR

Vibrations