Geometry & MOs

Info

ID:	446776
PubChem CID:	135277608
Reduced:	NSH27C40 (1)
Stoich.:	ABC27D40 (1)
Weight, g/mol:	679.233371
ΔH_f, kcal/mol:	172.4
Dipole, Da:	1.31
IP(EA), eV:	-8.01(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-phenanthren-9-ylphenyl)-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=CC=CC=C4C=C3)C5=C(C=C6C7=CC=CC=C7SC6=C5)C8=CC=CC=C8

DOS

IR

Vibrations