Geometry & MOs

Info

ID:

315018

PubChem CID:

126624184

Reduced:

SO2N4C26H38 (1)

Stoich.:

AB2C4D26E38 (1)

Weight, g/mol:

547.298097

ΔHf, kcal/mol:

-88.68

Dipole, Da:

4.46

IP(EA), eV:

 -8.34(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-2-[(1R)-1-[4-[3-(5-methylpyrazol-1-yl)azetidin-1-yl]cyclohexyl]ethyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCN(C1CCC(CC1)N(C)C)C2=C(C3=C(S2)CCN(C3=O)CC4=C(C=C(NC4=O)C)C)C

DOS

IR

Vibrations