Geometry & MOs

Info

ID:	446726
PubChem CID:	135277217
Reduced:	NSH33C45 (1)
Stoich.:	ABC33D45 (1)
Weight, g/mol:	685.189792
ΔH_f, kcal/mol:	168.21
Dipole, Da:	1.1
IP(EA), eV:	-7.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=C(C=C7C8=CC=CC=C8SC7=C6)C9=CC=CC=C9)C

DOS

IR

Vibrations