Geometry & MOs

Info

ID:

423521

PubChem CID:

135119668

Reduced:

SO2N4C18H22 (1)

Stoich.:

AB2C4D18E22 (1)

Weight, g/mol:

659.244741

ΔHf, kcal/mol:

-17.36

Dipole, Da:

5.83

IP(EA), eV:

 -8.76(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NN=C(S3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations