Geometry & MOs

Info

ID:

49645

PubChem CID:

11533443

Reduced:

ClSO4N7H20C21 (1)

Stoich.:

ABC4D7E20F21 (1)

Weight, g/mol:

501.058376

ΔHf, kcal/mol:

-22.52

Dipole, Da:

7.9

IP(EA), eV:

 -8.96(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-chloro-2-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C2=NNC(=C2)C(=O)O)OCC3=CN(N=N3)CCCCC(=O)NC4=NC=CS4

DOS

IR

Vibrations