Geometry & MOs

Info

ID:	35132
PubChem CID:	7979364
Reduced:	SN2O2F3H11C15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	409.113707
ΔH_f, kcal/mol:	-150.87
Dipole, Da:	3.86
IP(EA), eV:	-9.11(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations