Geometry & MOs

Info

ID:

66398

PubChem CID:

46504504

Reduced:

S2O5N6C25H32 (1)

Stoich.:

A2B5C6D25E32 (1)

Weight, g/mol:

640.193789

ΔHf, kcal/mol:

-123.38

Dipole, Da:

3.47

IP(EA), eV:

 -7.96(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[4-(2-fluorophenyl)piperazin-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)N3CCN(CC3)C)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations