Geometry & MOs

Info

ID:	178583
PubChem CID:	76353166
Reduced:	ClF3N3O3H11C16 (1)
Stoich.:	AB3C3D3E11F16 (1)
Weight, g/mol:	416.99467
ΔH_f, kcal/mol:	-190.06
Dipole, Da:	7.82
IP(EA), eV:	-9.94(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-fluorophenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)N=C1C=C(C=NC1=O)C(F)(F)F)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations