Geometry & MOs

Info

ID:	67708
PubChem CID:	46507012
Reduced:	SO2N3H23C28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	512.101054
ΔH_f, kcal/mol:	45.13
Dipole, Da:	4.71
IP(EA), eV:	-8.53(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC3=CC=CC=C3N=C(C2)SCC(=O)NC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations