Geometry & MOs

Info

ID:	182258
PubChem CID:	76865449
Reduced:	FO2N5C28H32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	355.115462
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	7.41
IP(EA), eV:	-8.92(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-6-methyl-2-(6-methylpyridin-2-yl)-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CCCCCC1CC(NN1)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations