Geometry & MOs

Info

ID:

314976

PubChem CID:

126624075

Reduced:

SN3O4C32H39 (1)

Stoich.:

AB3C4D32E39 (1)

Weight, g/mol:

498.266462

ΔHf, kcal/mol:

-130.49

Dipole, Da:

3.47

IP(EA), eV:

 -8.72(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-methylamino]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CN2CCC3=C(C2=O)C(=C(S3)N(C)C4CCC5(CC4)OCCO5)C)OCC6=CC=CC=C6)C

DOS

IR

Vibrations