Geometry & MOs

Info

ID:	38004
PubChem CID:	8026328
Reduced:	O2N4H14C19 (1)
Stoich.:	A2B4C14D19 (1)
Weight, g/mol:	319.9619
ΔH_f, kcal/mol:	18.68
Dipole, Da:	4.79
IP(EA), eV:	-8.85(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-ylmethyl)-5-bromopyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=O)N2CC(=O)NC3=CC=CC4=C3C=CC=N4

DOS

IR

Vibrations