Geometry & MOs

Info

ID:	156302
PubChem CID:	56370021
Reduced:	BrN3O4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	434.98077
ΔH_f, kcal/mol:	-118.5
Dipole, Da:	1.47
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CC(=C(C=C2)OCC(=O)N)OC)Br

DOS

IR

Vibrations