Geometry & MOs

Info

ID:	282851
PubChem CID:	103942259
Reduced:	BrFNSO4H9C12 (1)
Stoich.:	ABCDE4F9G12 (1)
Weight, g/mol:	360.94197
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	6.18
IP(EA), eV:	-9.68(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(4-bromo-3-fluorophenoxy)-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(S1)OC2=C(C=C(C=C2)Br)F)[N+](=O)[O-])O

DOS

IR

Vibrations