Geometry & MOs

Info

ID:	34341
PubChem CID:	7890846
Reduced:	NSO6C18H19 (1)
Stoich.:	ABC6D18E19 (1)
Weight, g/mol:	338.087827
ΔH_f, kcal/mol:	-233.39
Dipole, Da:	4.81
IP(EA), eV:	-8.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 4-aminobenzoate

Drug info:

PubChemData

Smile

C[C@]1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations