Geometry & MOs

Info

ID:	197819
PubChem CID:	79003551
Reduced:	ClSN2O3C10H15 (1)
Stoich.:	ABC2D3E10F15 (1)
Weight, g/mol:	182.110693
ΔH_f, kcal/mol:	-115.7
Dipole, Da:	6.22
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-fluoro-4-methylphenyl)butan-1-ol

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)NC1=C(C(=CC=C1)Cl)O

DOS

IR

Vibrations