Geometry & MOs

Info

ID:	25961
PubChem CID:	634970
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	444.035
ΔH_f, kcal/mol:	-172.69
Dipole, Da:	7.58
IP(EA), eV:	-8.46(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4,6,8,9-hexafluoro-3,7-dimethoxy-5-phenylbenzo[b]phosphindole 5-oxide

Drug info:

PubChemData

Smile

CC(=O)OC1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations