Geometry & MOs

Info

ID:

418913

PubChem CID:

135107111

Reduced:

ON2C7H11 (2)

Stoich.:

AB2C7D11 (2)

Weight, g/mol:

672.363533

ΔHf, kcal/mol:

-50.24

Dipole, Da:

6.92

IP(EA), eV:

 -8.99(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-10-methyl-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

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CNC3CC3

DOS

IR

Vibrations