Geometry & MOs

Info

ID:	197221
PubChem CID:	78938665
Reduced:	ClSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	295.065614
ΔH_f, kcal/mol:	34.12
Dipole, Da:	4.34
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-fluoro-2-(3-fluoro-4-nitrophenoxy)phenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-])Cl)N

DOS

IR

Vibrations