Geometry & MOs

Info

ID:

57641

PubChem CID:

22429313

Reduced:

ClSN3O5H24C26 (1)

Stoich.:

ABC3D5E24F26 (1)

Weight, g/mol:

523.09687

ΔHf, kcal/mol:

-154.87

Dipole, Da:

4.64

IP(EA), eV:

 -8.93(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)CN2C3=C(C4=C(S3)CCCC4)C(=O)N(C2=O)C5=CC=C(C=C5)Cl)OC

DOS

IR

Vibrations