Geometry & MOs

Info

ID:	21149
PubChem CID:	587342
Reduced:	ClN2F3O3C20H20 (1)
Stoich.:	AB2C3D3E20F20 (1)
Weight, g/mol:	428.111455
ΔH_f, kcal/mol:	-255.09
Dipole, Da:	5.87
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=CC(=C(C=C1)C)C)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations