Geometry & MOs

Info

ID:	28300
PubChem CID:	826917
Reduced:	ON2C20H20 (1)
Stoich.:	AB2C20D20 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	12.47
Dipole, Da:	2.6
IP(EA), eV:	-8.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-tert-butylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=CC(=C1)C(=O)NC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations