Geometry & MOs

Info

ID:	275512
PubChem CID:	103816485
Reduced:	BrClN2O2H6C10 (1)
Stoich.:	ABC2D2E6F10 (1)
Weight, g/mol:	330.91817
ΔH_f, kcal/mol:	-12.04
Dipole, Da:	6.01
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=COC=C1C(=O)NC2=CC(=C(N=C2)Cl)Br

DOS

IR

Vibrations