Geometry & MOs

Info

ID:	21074
PubChem CID:	587100
Reduced:	ClN2F3O3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	428.111455
ΔH_f, kcal/mol:	-255.69
Dipole, Da:	6.18
IP(EA), eV:	-9.26(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3-chlorobenzoyl)amino]-2-(2,4-dimethylanilino)-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations