Geometry & MOs

Info

ID:	268462
PubChem CID:	103599493
Reduced:	N2O5H22C23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	445.124941
ΔH_f, kcal/mol:	-101.35
Dipole, Da:	7.36
IP(EA), eV:	-8.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-oxo-3-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylamino]prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations