Geometry & MOs

Info

ID:	190192
PubChem CID:	77965875
Reduced:	ClOF3N6H10C16 (1)
Stoich.:	ABC3D6E10F16 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	8.8
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-oxo-3-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C(F)(F)F)C(=C(C#N)N2C=CC(=N2)C3=CC=CC=N3)O)Cl

DOS

IR

Vibrations