Geometry & MOs

Info

ID:

415306

PubChem CID:

135088300

Reduced:

O2N4C15H20 (1)

Stoich.:

A2B4C15D20 (1)

Weight, g/mol:

721.358782

ΔHf, kcal/mol:

-11.09

Dipole, Da:

3.35

IP(EA), eV:

 -8.96(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S,9R,12R)-3-benzyl-9-(1H-indol-3-ylmethyl)-6,12-dimethyl-13-(3-methyl-4-morpholin-4-ylbenzoyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=NC(=NC=C3C)C

DOS

IR

Vibrations