Geometry & MOs

Info

ID:	154555
PubChem CID:	56314017
Reduced:	SF3O3N4C17H21 (1)
Stoich.:	AB3C3D4E17F21 (1)
Weight, g/mol:	452.16714
ΔH_f, kcal/mol:	-237.26
Dipole, Da:	6.69
IP(EA), eV:	-8.37(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-(2-nitroanilino)acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations