Geometry & MOs

Info

ID:	151137
PubChem CID:	53790835
Reduced:	ClF2N2O5H13C15 (1)
Stoich.:	AB2C2D5E13F15 (1)
Weight, g/mol:	310.152872
ΔH_f, kcal/mol:	-186.88
Dipole, Da:	4.39
IP(EA), eV:	-10.54(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-amino-4-(ethoxycarbonylamino)-2,6-dimethylphenoxy]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C(C#N)C(=O)C1=C(C=C(C=C1)OC(F)(F)Cl)[N+](=O)[O-]

DOS

IR

Vibrations