Geometry & MOs

Info

ID:	67742
PubChem CID:	46507078
Reduced:	ClF2O2S3N4H13C20 (1)
Stoich.:	AB2C2D3E4F13G20 (1)
Weight, g/mol:	502.035867
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	3.89
IP(EA), eV:	-8.82(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)F)F)N(C(=S)S2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations