Geometry & MOs

Info

ID:	33110
PubChem CID:	7851417
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	318.082741
ΔH_f, kcal/mol:	-189.4
Dipole, Da:	5.0
IP(EA), eV:	-8.12(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)OCC(=O)NC1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations