Geometry & MOs

Info

ID:	20593
PubChem CID:	584741
Reduced:	Cl2F3N3O4H14C17 (1)
Stoich.:	A2B3C3D4E14F17 (1)
Weight, g/mol:	451.031346
ΔH_f, kcal/mol:	-264.74
Dipole, Da:	5.89
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3,5-dichloropyridin-2-yl)amino]-3,3,3-trifluoro-2-[(2-methoxybenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC(C(=O)OC)(C(F)(F)F)NC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations