Geometry & MOs

Info

ID:	123306
PubChem CID:	50841765
Reduced:	ClSO2N4H13C19 (1)
Stoich.:	ABC2D4E13F19 (1)
Weight, g/mol:	404.130697
ΔH_f, kcal/mol:	21.15
Dipole, Da:	3.28
IP(EA), eV:	-9.07(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NSC3=C2N=CN(C3=O)CC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations