Geometry & MOs

Info

ID:	25183
PubChem CID:	620831
Reduced:	ClN2O3F6H13C14 (1)
Stoich.:	AB2C3D6E13F14 (1)
Weight, g/mol:	406.051889
ΔH_f, kcal/mol:	-426.26
Dipole, Da:	5.66
IP(EA), eV:	-9.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-chloroacetyl)amino]-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C(F)(F)F)NC(=O)CCl

DOS

IR

Vibrations