Geometry & MOs

Info

ID:

421764

PubChem CID:

135116556

Reduced:

ON8C18H24 (1)

Stoich.:

AB8C18D24 (1)

Weight, g/mol:

699.364342

ΔHf, kcal/mol:

84.87

Dipole, Da:

5.09

IP(EA), eV:

 -9.16(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C(C2=CC=CC=C2)N3C=NN=N3

DOS

IR

Vibrations