Geometry & MOs

Info

ID:	442637
PubChem CID:	135253518
Reduced:	SN3H31C46 (1)
Stoich.:	AB3C31D46 (1)
Weight, g/mol:	631.171834
ΔH_f, kcal/mol:	211.64
Dipole, Da:	1.18
IP(EA), eV:	-8.58(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dibenzothiophen-4-yl-9-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-e][1,3]benzoxazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=NC5=C(S4)C=CC6=C5C7=C(C=C6)C=C(C=C7)C8=NC(=CC(=N8)C9=CC=CC=C9)C1=CC=CC=C1)C

DOS

IR

Vibrations