Geometry & MOs

Info

ID:

411043

PubChem CID:

135083852

Reduced:

BNOF3C7H12 (1)

Stoich.:

ABCD3E7F12 (1)

Weight, g/mol:

278.007137

ΔHf, kcal/mol:

-311.28

Dipole, Da:

3.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755640

Charge, e:

 0

Chem-info

IUPAC name:

dibenzothiophen-4-yl methanesulfonate

Drug info:

PubChemData

Smile

[B-](CNC(=O)C1CCCC1)(F)(F)F

DOS

IR

Vibrations