Geometry & MOs

Info

ID:	277142
PubChem CID:	103826985
Reduced:	BrClNOC14H17 (1)
Stoich.:	ABCDE14F17 (1)
Weight, g/mol:	371.96987
ΔH_f, kcal/mol:	-44.25
Dipole, Da:	4.93
IP(EA), eV:	-9.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCC1CCN(C1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations