Geometry & MOs

Info

ID:	167788
PubChem CID:	74876209
Reduced:	SN2O2F3C11H13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	294.103814
ΔH_f, kcal/mol:	-180.92
Dipole, Da:	2.69
IP(EA), eV:	-9.3(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-ethyl-6-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)pentanoic acid

Drug info:

PubChemData

Smile

COCCSC1=C(C=C(C=C1)C(F)(F)F)C(=NO)N

DOS

IR

Vibrations