Geometry & MOs

Info

ID:	38025
PubChem CID:	8026477
Reduced:	SF2N2O2H12C17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	357.076786
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	3.7
IP(EA), eV:	-9.31(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(2-chlorophenyl)ethyl] 2-anilino-4-oxofuran-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC(=C(C=C1)F)F)SC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations