Geometry & MOs

Info

ID:

421219

PubChem CID:

135115609

Reduced:

N3O3C24H37 (1)

Stoich.:

A3B3C24D37 (1)

Weight, g/mol:

622.347883

ΔHf, kcal/mol:

-128.07

Dipole, Da:

3.68

IP(EA), eV:

 -8.35(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4S,7S,10R,16R,20S)-4-benzyl-20-hydroxy-7,8-dimethyl-10-(2-methylpropyl)-14-(pyridin-3-ylmethyl)-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3(CCCCC3)NC4=CC=C(C=C4)OC)CO

DOS

IR

Vibrations