Geometry & MOs

Info

ID:	69474
PubChem CID:	47190238
Reduced:	SF3N3O3C10H14 (1)
Stoich.:	AB3C3D3E10F14 (1)
Weight, g/mol:	286.092912
ΔH_f, kcal/mol:	-244.26
Dipole, Da:	5.87
IP(EA), eV:	-9.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)NCC1=CN=C(C=C1)OCC(F)(F)F

DOS

IR

Vibrations