Geometry & MOs

Info

ID:

185725

PubChem CID:

77340533

Reduced:

ClN2O2C26H33 (1)

Stoich.:

AB2C2D26E33 (1)

Weight, g/mol:

474.121859

ΔHf, kcal/mol:

-101.9

Dipole, Da:

6.86

IP(EA), eV:

 -8.76(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-amino-2-[3-(13-chloro-14-fluoro-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-5-yl)-1,2,4-oxadiazol-5-yl]acetate

Drug info:

PubChemData

Smile

CC1(CC(=O)NC2=C1C=C(C=C2Cl)C(CC3=CC=CC=C3)CC(N4CCCCC4)O)C

DOS

IR

Vibrations