Geometry & MOs

Info

ID:	282852
PubChem CID:	103942337
Reduced:	BrFNSO4H9C12 (1)
Stoich.:	ABCDE4F9G12 (1)
Weight, g/mol:	348.940091
ΔH_f, kcal/mol:	-80.76
Dipole, Da:	6.49
IP(EA), eV:	-9.82(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-(2,5-dichlorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations