Geometry & MOs

Info

ID:	429516
PubChem CID:	135169565
Reduced:	SO2N4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-3.35
Dipole, Da:	5.75
IP(EA), eV:	-8.37(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)NC2=NC3=C(S2)C=C(C=C3)OCC4=C5C=CNC5=NC=C4)O

DOS

IR

Vibrations