Geometry & MOs

Info

ID:

320790

PubChem CID:

126663413

Reduced:

ION2C11H11 (1)

Stoich.:

ABC2D11E11 (1)

Weight, g/mol:

792.405792

ΔHf, kcal/mol:

14.24

Dipole, Da:

6.49

IP(EA), eV:

 -9.38(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(1-hydroxy-3,3-dimethylbutan-2-yl)oxy-2-[(2-methylpropan-2-yl)oxy]ethyl] 5-[4-[[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenoxy]carbonylamino]butylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=C(C=C1)C#N)I

DOS

IR

Vibrations