Geometry & MOs

Info

ID:	293597
PubChem CID:	117394010
Reduced:	SN2O4C10H12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	256.056944
ΔH_f, kcal/mol:	-114.17
Dipole, Da:	2.13
IP(EA), eV:	-9.21(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-4-(oxetan-3-ylsulfanyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1OC2=C(C=C(C=C2)C(=O)CCN)NS1(=O)=O

DOS

IR

Vibrations