Geometry & MOs

Info

ID:	293614
PubChem CID:	117394416
Reduced:	SN2O3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	256.093329
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	2.99
IP(EA), eV:	-8.94(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CNCC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C

DOS

IR

Vibrations