Geometry & MOs

Info

ID:	340665
PubChem CID:	127262676
Reduced:	OSP2F4H22C36 (1)
Stoich.:	ABC2D4E22F36 (1)
Weight, g/mol:	571.170116
ΔH_f, kcal/mol:	-87.23
Dipole, Da:	2.09
IP(EA), eV:	-8.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(4-diphenylphosphorylphenyl)phenyl]-[1]benzofuro[2,3-c]quinoline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)P(C2=CC=C(C=C2)F)C3=C4C(=CC=C3)SC5=CC=CC(=C5O4)P(C6=CC=C(C=C6)F)C7=CC=C(C=C7)F)F

DOS

IR

Vibrations