Geometry & MOs

Info

ID:	197317
PubChem CID:	78952002
Reduced:	ClNSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	228.098414
ΔH_f, kcal/mol:	-13.36
Dipole, Da:	3.79
IP(EA), eV:	-8.88(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3O2)Cl)O

DOS

IR

Vibrations