Geometry & MOs

Info

ID:	175278
PubChem CID:	75878185
Reduced:	ClN3O3H16C17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	432.109705
ΔH_f, kcal/mol:	13.45
Dipole, Da:	5.38
IP(EA), eV:	-9.36(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[4-[3-(5-methylfuran-2-yl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=CC=C1Cl)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations