Geometry & MOs

Info

ID:

314975

PubChem CID:

126624070

Reduced:

ClFSO3C23H28 (1)

Stoich.:

ABCD3E23F28 (1)

Weight, g/mol:

561.266128

ΔHf, kcal/mol:

-201.2

Dipole, Da:

7.72

IP(EA), eV:

 -9.09(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4,6-dimethyl-2-phenylmethoxypyridin-3-yl)methyl]-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1CC(C(C1)SC2=C(C=C(C(=C2)Cl)OCC34CC5CC(C3)CC(C5)C4)F)C(=O)O

DOS

IR

Vibrations