Geometry & MOs

Info

ID:	269233
PubChem CID:	103616458
Reduced:	SO3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	322.968688
ΔH_f, kcal/mol:	-114.5
Dipole, Da:	5.43
IP(EA), eV:	-9.27(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-6-yl)-3,6-dichloropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CCOC1=CC=CC=C1

DOS

IR

Vibrations