Geometry & MOs

Info

ID:	18704
PubChem CID:	546720
Reduced:	N2F3O3C17H23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	360.166077
ΔH_f, kcal/mol:	-289.53
Dipole, Da:	3.54
IP(EA), eV:	-8.7(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,3,3-trifluoro-2-(propanoylamino)-2-(4-propan-2-ylanilino)propanoate

Drug info:

PubChemData

Smile

CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)C(C)C

DOS

IR

Vibrations