Geometry & MOs

Info

ID:	25182
PubChem CID:	620830
Reduced:	N3O6H7C12 (1)
Stoich.:	A3B6C7D12 (1)
Weight, g/mol:	406.051889
ΔH_f, kcal/mol:	-78.78
Dipole, Da:	3.35
IP(EA), eV:	-8.42(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-[3-(trifluoromethyl)anilino]propanoate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N(O)O)NC3=C(N2)C(=O)C(=O)C(=O)C3=O

DOS

IR

Vibrations