Geometry & MOs

Info

ID:	429495
PubChem CID:	135169544
Reduced:	ClSO2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	431.166748
ΔH_f, kcal/mol:	-11.0
Dipole, Da:	1.94
IP(EA), eV:	-8.37(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[[6-[(3-phenylpyridin-4-yl)methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1CCC([C@@H](C1)O)NC2=NC3=C(S2)C=C(C=C3)OCC4=C5C(=CNC5=NC=C4)Cl

DOS

IR

Vibrations