Geometry & MOs

Info

ID:

67279

PubChem CID:

46506192

Reduced:

FS2O4N5C26H32 (1)

Stoich.:

AB2C4D5E26F32 (1)

Weight, g/mol:

539.187226

ΔHf, kcal/mol:

-156.34

Dipole, Da:

4.64

IP(EA), eV:

 -8.99(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=C5F)C)C

DOS

IR

Vibrations