Geometry & MOs

Info

ID:	197305
PubChem CID:	78951417
Reduced:	ClON2S2C11H11 (1)
Stoich.:	ABC2D2E11F11 (1)
Weight, g/mol:	293.052193
ΔH_f, kcal/mol:	15.33
Dipole, Da:	2.27
IP(EA), eV:	-9.01(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-fluoro-2-(4-nitrophenyl)sulfanylphenyl]ethanol

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SC2=C(C=C(C=C2)[C@H](C)O)Cl

DOS

IR

Vibrations