Geometry & MOs

Info

ID:	137220
PubChem CID:	52172795
Reduced:	FNO5H12C15 (1)
Stoich.:	ABC5D12E15 (1)
Weight, g/mol:	351.086663
ΔH_f, kcal/mol:	-108.65
Dipole, Da:	4.69
IP(EA), eV:	-9.44(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-(2-fluoro-4-nitroanilino)-1-(4-nitrophenyl)propane-1,3-diol

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])F)OC

DOS

IR

Vibrations