Geometry & MOs

Info

ID:	83195
PubChem CID:	49857268
Reduced:	O6C31H44 (1)
Stoich.:	A6B31C44 (1)
Weight, g/mol:	360.986793
ΔH_f, kcal/mol:	-258.95
Dipole, Da:	1.53
IP(EA), eV:	-8.76(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-nitrodibenzofuran-4-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](O[C@]2(C1)C[C@H](C[C@H](O2)[C@H]([C@@H](C)COCC3=CC=CC=C3)O)C)COCC4=CC=C(C=C4)OC

DOS

IR

Vibrations