Geometry & MOs

Info

ID:	165787
PubChem CID:	74598450
Reduced:	SF2N5O5H17C21 (1)
Stoich.:	AB2C5D5E17F21 (1)
Weight, g/mol:	397.149384
ΔH_f, kcal/mol:	-163.04
Dipole, Da:	8.39
IP(EA), eV:	-9.33(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(3-propan-2-yloxypropyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC(=O)C2C=CC(=O)N=N2)OCC(=O)NC3=CC=C(C=C3)SC(F)F

DOS

IR

Vibrations