Geometry & MOs

Info

ID:	270319
PubChem CID:	103636031
Reduced:	BrClN3O3C15H19 (1)
Stoich.:	ABC3D3E15F19 (1)
Weight, g/mol:	368.97828
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	5.1
IP(EA), eV:	-9.53(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations