Geometry & MOs

Info

ID:	171359
PubChem CID:	75366156
Reduced:	ClO2N4C8H13 (1)
Stoich.:	AB2C4D8E13 (1)
Weight, g/mol:	368.043539
ΔH_f, kcal/mol:	-68.42
Dipole, Da:	5.5
IP(EA), eV:	-9.63(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-methyl-4-oxo-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)N2CC(OC2=O)CN.Cl

DOS

IR

Vibrations