Geometry & MOs

Info

ID:

159616

PubChem CID:

57288539

Reduced:

N2O5C33H38 (1)

Stoich.:

A2B5C33D38 (1)

Weight, g/mol:

561.226371

ΔHf, kcal/mol:

-132.77

Dipole, Da:

4.29

IP(EA), eV:

 -8.16(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[2-(pyridine-4-carbonyl)anilino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)N(C)[C@@H]2CC[C@H]3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)OC)CCN4CC(=C)OC(=O)C

DOS

IR

Vibrations