Geometry & MOs

Info

ID:

180554

PubChem CID:

76653243

Reduced:

FINO13C39H39 (1)

Stoich.:

ABCD13E39F39 (1)

Weight, g/mol:

677.245637

ΔHf, kcal/mol:

-515.55

Dipole, Da:

7.63

IP(EA), eV:

 -8.72(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6-[4-[3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-1-[4-(2-trimethylsilylethynyl)phenyl]azetidin-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(OC(C1OC(=O)C)OC2=CC=C(C=C2)C3C(C(=O)N3C4=CC=C(C=C4)I)CCC(C5=CC=C(C=C5)F)OC(=O)C)C(=O)OC)OC(=O)C

DOS

IR

Vibrations