Geometry & MOs

Info

ID:	261388
PubChem CID:	103230030
Reduced:	SO2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	297.037955
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	6.45
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-6-(trifluoromethyl)anilino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)SC(COC)C(=O)NN)N

DOS

IR

Vibrations