Geometry & MOs

Info

ID:

66400

PubChem CID:

46504507

Reduced:

ClS2O5N6C30H33 (1)

Stoich.:

AB2C5D6E30F33 (1)

Weight, g/mol:

622.203211

ΔHf, kcal/mol:

-106.54

Dipole, Da:

4.23

IP(EA), eV:

 -8.74(-1.44)

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-phenylpiperazin-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)C4=CC(=CC=C4)Cl)S(=O)(=O)N5CCN(CC5)C6=CC=CC=C6OC

DOS

IR

Vibrations