Geometry & MOs

Info

ID:

441804

PubChem CID:

135245031

Reduced:

SF2N4O15C39H58 (1)

Stoich.:

AB2C4D15E39F58 (1)

Weight, g/mol:

440.148455

ΔHf, kcal/mol:

-681.68

Dipole, Da:

4.07

IP(EA), eV:

 -8.99(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[3-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1-benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC(=C(C(=C1)F)OC2=CC=C(C=C2)S(=O)(=O)NCCOCCOCCOCCNC(=O)[C@@H]([C@H](C(=O)NCCOCCOCCOCCNC)O)O)F)/C

DOS

IR

Vibrations