Geometry & MOs

Info

ID:	74755
PubChem CID:	48422411
Reduced:	ClN2F3O3C17H20 (1)
Stoich.:	AB2C3D3E17F20 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-268.29
Dipole, Da:	8.38
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)OCC2CC2

DOS

IR

Vibrations