Geometry & MOs

Info

ID:	154849
PubChem CID:	56314391
Reduced:	Cl2O2F3N3C20H20 (1)
Stoich.:	A2B2C3D3E20F20 (1)
Weight, g/mol:	431.191957
ΔH_f, kcal/mol:	-200.0
Dipole, Da:	4.37
IP(EA), eV:	-9.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCC(CC2)C(=O)C3=CC(=C(C=C3)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations