Geometry & MOs

Info

ID:

67718

PubChem CID:

46507029

Reduced:

ClFO2S3N4H16C21 (1)

Stoich.:

ABC2D3E4F16G21 (1)

Weight, g/mol:

536.02136

ΔHf, kcal/mol:

-41.52

Dipole, Da:

5.69

IP(EA), eV:

 -8.72(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C(=N3)SCC(=O)NC4=CC(=C(C=C4)F)Cl)C)SC2=S

DOS

IR

Vibrations