Geometry & MOs

Info

ID:	63622
PubChem CID:	26758792
Reduced:	NF3O5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	409.113707
ΔH_f, kcal/mol:	-314.31
Dipole, Da:	3.35
IP(EA), eV:	-8.91(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations