Geometry & MOs

Info

ID:	446744
PubChem CID:	135277374
Reduced:	NSH31C46 (1)
Stoich.:	ABC31D46 (1)
Weight, g/mol:	657.249021
ΔH_f, kcal/mol:	196.52
Dipole, Da:	1.23
IP(EA), eV:	-8.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyclohexa-1,3-dien-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)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=CC5=CC=CC=C54)C6=C(C7=C(C=C6)C8=CC=CC=C8S7)C9=CC=CC=C9

DOS

IR

Vibrations