Geometry & MOs

Info

ID:

416611

PubChem CID:

135089824

Reduced:

N2O4C17H24 (1)

Stoich.:

A2B4C17D24 (1)

Weight, g/mol:

591.309055

ΔHf, kcal/mol:

-169.71

Dipole, Da:

3.71

IP(EA), eV:

 -9.46(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-3-methyl-6-(2-methylsulfanylethyl)-9-propan-2-yl-13-(2-propan-2-yloxyacetyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCOCCC(=O)N[C@@H]1CCN(C[C@H]1O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations