Geometry & MOs

Info

ID:

67717

PubChem CID:

46507027

Reduced:

ClS2O3N4C24H27 (1)

Stoich.:

AB2C3D4E24F27 (1)

Weight, g/mol:

506.010795

ΔHf, kcal/mol:

-70.05

Dipole, Da:

5.87

IP(EA), eV:

 -9.1(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[[6-methyl-3-(4-methylphenyl)-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CS4

DOS

IR

Vibrations