Geometry & MOs

Info

ID:	233684
PubChem CID:	92092847
Reduced:	ON5H15C20 (1)
Stoich.:	AB5C15D20 (1)
Weight, g/mol:	346.088832
ΔH_f, kcal/mol:	93.03
Dipole, Da:	2.58
IP(EA), eV:	-10.05(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyridin-4-ylpyridin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCC3=C(N=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations