Geometry & MOs

Info

ID:	66030
PubChem CID:	46488177
Reduced:	SCl3O3N4H17C20 (1)
Stoich.:	AB3C3D4E17F20 (1)
Weight, g/mol:	323.113313
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	5.09
IP(EA), eV:	-9.43(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-phenylethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CN(N=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations