Geometry & MOs

Info

ID:	123109
PubChem CID:	50833439
Reduced:	SO3N4H22C26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	469.178376
ΔH_f, kcal/mol:	-20.75
Dipole, Da:	1.6
IP(EA), eV:	-8.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=O)N1CC(=O)NCC3=CC=C(C=C3)OC)SC4=C2C=CC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations