Geometry & MOs

Info

ID:	227505
PubChem CID:	87561882
Reduced:	SN3O7C25H33 (1)
Stoich.:	AB3C7D25E33 (1)
Weight, g/mol:	271.077933
ΔH_f, kcal/mol:	-262.61
Dipole, Da:	3.85
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(methoxymethyl)pyridin-3-yl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1O[C@H]2CCN([C@H](C2)C(C)(C)C)C(=O)O)OC3=CC=C(C=C3)CC4COS(=O)OC4

DOS

IR

Vibrations