Geometry & MOs

Info

ID:	37359
PubChem CID:	8020138
Reduced:	NF3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	374.108956
ΔH_f, kcal/mol:	-256.9
Dipole, Da:	6.47
IP(EA), eV:	-9.28(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-nitro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C(=C(C=C1)F)F)F)OC(=O)C2CCCC2

DOS

IR

Vibrations