Geometry & MOs

Info

ID:	314469
PubChem CID:	126621877
Reduced:	ClN2H19C32 (1)
Stoich.:	AB2C19D32 (1)
Weight, g/mol:	446.064447
ΔH_f, kcal/mol:	152.43
Dipole, Da:	4.32
IP(EA), eV:	-8.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-dibenzothiophen-2-ylphenanthro[9,10-d]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C4=NC(=NC5=C4C6=CC=CC=C6C7=CC=CC=C75)Cl

DOS

IR

Vibrations