Geometry & MOs

Info

ID:	216490
PubChem CID:	85086310
Reduced:	SN3O3C11H19 (1)
Stoich.:	AB3C3D11E19 (1)
Weight, g/mol:	273.093583
ΔH_f, kcal/mol:	-125.72
Dipole, Da:	0.66
IP(EA), eV:	-8.43(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-azabicyclo[2.2.1]heptan-2-yl)-1,2-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(N)N1CCOCC1)C(=S)NC

DOS

IR

Vibrations