Geometry & MOs

Info

ID:

434324

PubChem CID:

135174688

Reduced:

SO7N9C61H69 (1)

Stoich.:

AB7C9D61E69 (1)

Weight, g/mol:

396.226037

ΔHf, kcal/mol:

-153.21

Dipole, Da:

4.02

IP(EA), eV:

 -9.11(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(3-methoxypropoxy)ethyl]-5-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]butoxy]ethyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CN=C([C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=C(C4=O)C=C(C=C5)O[C@@H]6C[C@H](N(C6)C(=O)[C@H](C(C)C)N7CC8=CC=CC=C8C7=O)C(=O)NCC9=CC=C(C=C9)C1CCCCC1)O)NC#N

DOS

IR

Vibrations