Geometry & MOs

Info

ID:

414254

PubChem CID:

135087210

Reduced:

N4O4C15H18 (1)

Stoich.:

A4B4C15D18 (1)

Weight, g/mol:

629.342463

ΔHf, kcal/mol:

-136.79

Dipole, Da:

1.87

IP(EA), eV:

 -10.01(-0.6)

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CN2CC(=O)NC2=O)CC3=CC=NC=C3

DOS

IR

Vibrations