Geometry & MOs

Info

ID:

173511

PubChem CID:

75647295

Reduced:

ClSO3N5H20C24 (1)

Stoich.:

ABC3D5E20F24 (1)

Weight, g/mol:

430.229014

ΔHf, kcal/mol:

33.49

Dipole, Da:

8.56

IP(EA), eV:

 -8.81(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-yl)-4-hydroxy-2-methyl-8-[(2-methylpiperidin-1-yl)methyl]-5,6,8,8a-tetrahydrochromen-7-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CC(=NC3=NC(=NN23)NS(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations