Geometry & MOs

Info

ID:

414845

PubChem CID:

135087817

Reduced:

N2O5C17H30 (1)

Stoich.:

A2B5C17D30 (1)

Weight, g/mol:

636.327148

ΔHf, kcal/mol:

-248.41

Dipole, Da:

5.58

IP(EA), eV:

 -8.72(1.1)

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-(pyridine-2-carbonyl)-17-oxa-2,5,8,11,14-pentazabicyclo[14.3.1]icosane-3,6,9,12-tetrone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)CCN3CCOCC3)O

DOS

IR

Vibrations