Geometry & MOs

Info

ID:	26847
PubChem CID:	799763
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	232.045962
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	3.91
IP(EA), eV:	-8.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,2,2-trifluoroacetyl)amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=S)N2CCOCC2

DOS

IR

Vibrations