Geometry & MOs

Info

ID:

415222

PubChem CID:

135088214

Reduced:

FN3O5C18H22 (1)

Stoich.:

AB3C5D18E22 (1)

Weight, g/mol:

657.363868

ΔHf, kcal/mol:

-175.54

Dipole, Da:

5.54

IP(EA), eV:

 -8.94(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-10-methyl-17-[2-(2-methylimidazol-1-yl)acetyl]-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2CC[C@@H]([C@@H](C2)O)O)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations