Geometry & MOs

Info

ID:	140058
PubChem CID:	52638656
Reduced:	BrN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	374.107597
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	3.27
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Br)CC(=O)NCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations