Geometry & MOs

Info

ID:

419585

PubChem CID:

135108480

Reduced:

ON3C15H23 (1)

Stoich.:

AB3C15D23 (1)

Weight, g/mol:

573.352634

ΔHf, kcal/mol:

-3.08

Dipole, Da:

0.35

IP(EA), eV:

 -8.76(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-6-[(4-methoxyphenyl)methyl]-3-methyl-13-(2-methylpropanoyl)-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCCC[C@@H]1CN(C[C@@H](O1)C2CC2)C3=NC=CC=N3

DOS

IR

Vibrations