Geometry & MOs

Info

ID:

169463

PubChem CID:

75106110

Reduced:

ClSN3O3C20H24 (1)

Stoich.:

ABC3D3E20F24 (1)

Weight, g/mol:

590.203108

ΔHf, kcal/mol:

-24.29

Dipole, Da:

2.18

IP(EA), eV:

 -9.31(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride

Drug info:

PubChemData

Smile

C1CCN(CC1)CCNS(=O)(=O)C2C=CC3=NC(=O)C4=CC=CC=C4C3=C2.Cl

DOS

IR

Vibrations