Geometry & MOs

Info

ID:	193868
PubChem CID:	78449753
Reduced:	N3O4H19C20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	358.132885
ΔH_f, kcal/mol:	-108.34
Dipole, Da:	10.79
IP(EA), eV:	-9.09(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoroanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)OCC(=O)NC1=CC=C(C=C1)C#N)C2=CC=CC=C2

DOS

IR

Vibrations