Geometry & MOs

Info

ID:

415649

PubChem CID:

135088648

Reduced:

N3O4C12H15 (1)

Stoich.:

A3B4C12D15 (1)

Weight, g/mol:

658.347883

ΔHf, kcal/mol:

-112.16

Dipole, Da:

8.39

IP(EA), eV:

 -9.4(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,15S)-3-benzyl-15-ethyl-9-methyl-13-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-6-(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O

DOS

IR

Vibrations