Geometry & MOs

Info

ID:

416899

PubChem CID:

135090742

Reduced:

NOC9H15 (2)

Stoich.:

ABC9D15 (2)

Weight, g/mol:

688.394833

ΔHf, kcal/mol:

-64.37

Dipole, Da:

3.16

IP(EA), eV:

 -8.77(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,8S)-5-[(4-methoxyphenyl)methyl]-7,8-dimethyl-14-[2-(1-methylindol-3-yl)acetyl]-2-(2-methylpropyl)-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CCC3CCCCC3

DOS

IR

Vibrations