Geometry & MOs

Info

ID:	18706
PubChem CID:	546752
Reduced:	ClN2F3O4C15H18 (1)
Stoich.:	AB2C3D4E15F18 (1)
Weight, g/mol:	382.090719
ΔH_f, kcal/mol:	-318.2
Dipole, Da:	1.64
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(5-chloro-2-methoxyanilino)-3,3,3-trifluoro-2-(propanoylamino)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations