Geometry & MOs

Info

ID:	33273
PubChem CID:	7885766
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	346.078742
ΔH_f, kcal/mol:	-159.89
Dipole, Da:	3.82
IP(EA), eV:	-9.18(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC=CS2

DOS

IR

Vibrations