Geometry & MOs

Info

ID:	19654
PubChem CID:	569696
Reduced:	N2O3F4H16C18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	384.109705
ΔH_f, kcal/mol:	-276.25
Dipole, Da:	5.24
IP(EA), eV:	-9.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzamido-3,3,3-trifluoro-2-(3-fluoroanilino)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=CC(=CC=C1)F)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations