Geometry & MOs

Info

ID:

66406

PubChem CID:

46504519

Reduced:

S2O5N6C27H36 (1)

Stoich.:

A2B5C6D27E36 (1)

Weight, g/mol:

623.19846

ΔHf, kcal/mol:

-135.16

Dipole, Da:

3.42

IP(EA), eV:

 -8.84(-1.34)

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-pyridin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5OC

DOS

IR

Vibrations