Geometry & MOs

Info

ID:	35898
PubChem CID:	7980464
Reduced:	ClFO4H12C22 (1)
Stoich.:	ABC4D12E22 (1)
Weight, g/mol:	313.111422
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	3.12
IP(EA), eV:	-9.92(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=CC(=CC=C4)F)Cl

DOS

IR

Vibrations