Geometry & MOs

Info

ID:	37358
PubChem CID:	8020098
Reduced:	NSO5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	315.108228
ΔH_f, kcal/mol:	-169.48
Dipole, Da:	2.78
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC(=O)[C@H]3C[C@H]3C

DOS

IR

Vibrations