Geometry & MOs

Info

ID:	224946
PubChem CID:	85735092
Reduced:	FNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	349.088099
ΔH_f, kcal/mol:	-150.25
Dipole, Da:	3.28
IP(EA), eV:	-9.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

CCCCCC(C)OC(=O)C(CC1=CC=C(C=C1)F)N

DOS

IR

Vibrations