Geometry & MOs

Info

ID:

420851

PubChem CID:

135114926

Reduced:

SN2O5C19H22 (1)

Stoich.:

AB2C5D19E22 (1)

Weight, g/mol:

563.277755

ΔHf, kcal/mol:

-139.47

Dipole, Da:

9.9

IP(EA), eV:

 -9.45(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)S(=O)(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4)OC1

DOS

IR

Vibrations