Geometry & MOs

Info

ID:

419916

PubChem CID:

135109702

Reduced:

SN3O5C14H21 (1)

Stoich.:

AB3C5D14E21 (1)

Weight, g/mol:

582.298825

ΔHf, kcal/mol:

-173.14

Dipole, Da:

7.57

IP(EA), eV:

 -9.32(-0.26)

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-(pyridin-4-ylmethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=C(N=CC=C2)OC

DOS

IR

Vibrations