Geometry & MOs

Info

ID:	445665
PubChem CID:	135268827
Reduced:	ClFO3N4H24C27 (1)
Stoich.:	ABC3D4E24F27 (1)
Weight, g/mol:	460.002641
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	0.96
IP(EA), eV:	-8.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,11-bis(trifluoromethylsulfanyloxy)triphenylene

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(C2=C(C=C(C(=C2)C3=C4C=CC(=CC4=NC=C3C=C)N5CCOCC5)F)Cl)O

DOS

IR

Vibrations