Geometry & MOs

Info

ID:	21073
PubChem CID:	587099
Reduced:	ClN2O3F6H15C19 (1)
Stoich.:	AB2C3D6E15F19 (1)
Weight, g/mol:	468.067539
ΔH_f, kcal/mol:	-402.54
Dipole, Da:	6.09
IP(EA), eV:	-9.52(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C(F)(F)F)NC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations