Geometry & MOs

Info

ID:	66752
PubChem CID:	46505200
Reduced:	FN3O6C26H30 (1)
Stoich.:	AB3C6D26E30 (1)
Weight, g/mol:	560.187561
ΔH_f, kcal/mol:	-245.99
Dipole, Da:	8.86
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-5-(4-methylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC=CC=C4F

DOS

IR

Vibrations