Geometry & MOs

Info

ID:	37782
PubChem CID:	8024377
Reduced:	SO4N5H15C16 (1)
Stoich.:	AB4C5D15E16 (1)
Weight, g/mol:	383.039834
ΔH_f, kcal/mol:	-18.78
Dipole, Da:	5.1
IP(EA), eV:	-9.03(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NN3C=NN=C3

DOS

IR

Vibrations