Geometry & MOs

Info

ID:	33256
PubChem CID:	7885669
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	318.083827
ΔH_f, kcal/mol:	-177.56
Dipole, Da:	4.67
IP(EA), eV:	-8.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations