Geometry & MOs

Info

ID:

416920

PubChem CID:

135090791

Reduced:

FN3O3C25H28 (1)

Stoich.:

AB3C3D25E28 (1)

Weight, g/mol:

677.245011

ΔHf, kcal/mol:

-76.97

Dipole, Da:

4.3

IP(EA), eV:

 -9.05(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N[C@@H]2CCCC[C@H]2C3=CC=CC=C3)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations