Geometry & MOs

Info

ID:	63461
PubChem CID:	26758390
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	373.073734
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	1.46
IP(EA), eV:	-9.02(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations