Geometry & MOs

Info

ID:	187626
PubChem CID:	77599216
Reduced:	ClN2O2F3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	-221.95
Dipole, Da:	9.75
IP(EA), eV:	-9.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(cyclopentylmethyl)-5-methyl-4-oxo-4aH-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CNCC1N(CC(F)(F)F)C(=O)C2=CC=CC=C2OC3=CC=CC=C3.Cl

DOS

IR

Vibrations