Geometry & MOs

Info

ID:	54795
PubChem CID:	17389289
Reduced:	ClO7H15C26 (1)
Stoich.:	AB7C15D26 (1)
Weight, g/mol:	418.99393
ΔH_f, kcal/mol:	39.01
Dipole, Da:	12.57
IP(EA), eV:	-8.94(-4.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone;hydrobromide

Drug info:

PubChemData

Smile

C1=CC=C\2C(=C1)C=CC/3=[O+]C(=O)C\4=CC5=C(C=CC6=CC=CC=C65)O/C4=C/C=C32.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations