Geometry & MOs

Info

ID:	157558
PubChem CID:	56435689
Reduced:	S2O3N4C22H28 (1)
Stoich.:	A2B3C4D22E28 (1)
Weight, g/mol:	409.161326
ΔH_f, kcal/mol:	-58.9
Dipole, Da:	5.42
IP(EA), eV:	-8.5(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-oxo-1-phenyl-2-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]amino]ethyl]butanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)C(C)(C)C

DOS

IR

Vibrations