Geometry & MOs

Info

ID:	19716
PubChem CID:	571246
Reduced:	N2F3O3H19C23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	428.134777
ΔH_f, kcal/mol:	-198.89
Dipole, Da:	2.6
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methylfuran-2-yl)-3-oxo-3-[[2-(trifluoromethyl)phenyl]methylamino]prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C=C(C(=O)NCC2=CC=CC=C2C(F)(F)F)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations