Geometry & MOs

Info

ID:	303005
PubChem CID:	124489089
Reduced:	FNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	228.04563
ΔH_f, kcal/mol:	-133.49
Dipole, Da:	2.95
IP(EA), eV:	-9.43(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methylsulfonyl-2-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCOC[C@H]1CCCN(C1)C(=O)C2=CC(=C(C=C2)F)C

DOS

IR

Vibrations