Geometry & MOs

Info

ID:

66405

PubChem CID:

46504518

Reduced:

S2O5N6C31H36 (1)

Stoich.:

A2B5C6D31E36 (1)

Weight, g/mol:

588.218861

ΔHf, kcal/mol:

-99.15

Dipole, Da:

6.56

IP(EA), eV:

 -8.69(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)CC4=CC=CC=C4)S(=O)(=O)N5CCN(CC5)C6=CC=CC=C6OC

DOS

IR

Vibrations