Geometry & MOs

Info

ID:	224958
PubChem CID:	85735141
Reduced:	ClFNO2C16H25 (1)
Stoich.:	ABCD2E16F25 (1)
Weight, g/mol:	369.098806
ΔH_f, kcal/mol:	-183.77
Dipole, Da:	3.81
IP(EA), eV:	-9.48(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations