Geometry & MOs

Info

ID:

81588

PubChem CID:

49854893

Reduced:

NI4O10H27C38 (1)

Stoich.:

AB4C10D27E38 (1)

Weight, g/mol:

466.111104

ΔHf, kcal/mol:

-256.52

Dipole, Da:

5.48

IP(EA), eV:

 -9.11(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-but-3-enoxy-N-(5-fluoro-1,3-thiazol-2-yl)-2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N

DOS

IR

Vibrations