Geometry & MOs

Info

ID:	177175
PubChem CID:	76143771
Reduced:	ClSN2O5H17C21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	1072.295378
ΔH_f, kcal/mol:	-54.77
Dipole, Da:	1.87
IP(EA), eV:	-9.12(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-tribenzoyloxy-6-[(3,4,5-tribenzoyloxy-6-fluorooxan-2-yl)methoxy]oxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1C(C(C2=CC=CC=C2O1)C3=CC=C(C=C3)Cl)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations