Geometry & MOs

Info

ID:	243276
PubChem CID:	99218150
Reduced:	BrN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	409.92915
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	1.73
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)CCN(C1=CC(=CC=C1)Br)C(=O)C2=C(N=CC=C2)OCCOC

DOS

IR

Vibrations