Geometry & MOs

Info

ID:	326484
PubChem CID:	126687651
Reduced:	NS2O3C8H17 (1)
Stoich.:	AB2C3D8E17 (1)
Weight, g/mol:	238.15037
ΔH_f, kcal/mol:	-154.71
Dipole, Da:	1.88
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-2-propan-2-yl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CCCSSCCNC(=O)C(CO)O

DOS

IR

Vibrations