Geometry & MOs

Info

ID:

66408

PubChem CID:

46504521

Reduced:

S2O5N6C28H32 (1)

Stoich.:

A2B5C6D28E32 (1)

Weight, g/mol:

573.207962

ΔHf, kcal/mol:

-93.97

Dipole, Da:

6.17

IP(EA), eV:

 -8.12(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N(C)CCC3=CC=CC=N3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations