Geometry & MOs

Info

ID:	25193
PubChem CID:	620926
Reduced:	O6C17H20 (1)
Stoich.:	A6B17C20 (1)
Weight, g/mol:	402.101426
ΔH_f, kcal/mol:	-201.96
Dipole, Da:	5.5
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2CCC(=O)C=C2C(=O)OC)OC)OC

DOS

IR

Vibrations