Geometry & MOs

Info

ID:	42691
PubChem CID:	8149871
Reduced:	FSN3O3C19H20 (1)
Stoich.:	ABC3D3E19F20 (1)
Weight, g/mol:	389.120941
ΔH_f, kcal/mol:	-142.98
Dipole, Da:	2.3
IP(EA), eV:	-8.84(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S)-1-(3-fluoro-4-methylanilino)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)NC3=CC(=C(C=C3)C)F)C

DOS

IR

Vibrations