Geometry & MOs

Info

ID:	217380
PubChem CID:	85087725
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-69.48
Dipole, Da:	5.31
IP(EA), eV:	-8.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-azabicyclo[2.2.1]heptan-2-yl)-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3CCC2C(C3)C4=CN=C(C=C4)OC

DOS

IR

Vibrations