Geometry & MOs

Info

ID:	63621
PubChem CID:	26758791
Reduced:	FNO5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	409.113707
ΔH_f, kcal/mol:	-200.23
Dipole, Da:	4.3
IP(EA), eV:	-9.02(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-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=C1)F)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations