Geometry & MOs

Info

ID:

421584

PubChem CID:

135116264

Reduced:

ON4C25H26 (1)

Stoich.:

AB4C25D26 (1)

Weight, g/mol:

563.277755

ΔHf, kcal/mol:

34.54

Dipole, Da:

3.17

IP(EA), eV:

 -9.39(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9S,15R)-15-benzyl-13-[(2S)-2-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

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)C(=O)CCC5=CC=NC=C5

DOS

IR

Vibrations