Geometry & MOs

Info

ID:	446781
PubChem CID:	135277640
Reduced:	NOSH37C54 (1)
Stoich.:	ABCD37E54 (1)
Weight, g/mol:	655.233371
ΔH_f, kcal/mol:	193.31
Dipole, Da:	1.78
IP(EA), eV:	-7.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-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=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6C8=CC9=C(C=C8)SC1=CC=CC=C19)C1C=CC=CC1O7

DOS

IR

Vibrations