Geometry & MOs

Info

ID:

414922

PubChem CID:

135087894

Reduced:

FN2O7C31H33 (1)

Stoich.:

AB2C7D31E33 (1)

Weight, g/mol:

607.294074

ΔHf, kcal/mol:

-167.96

Dipole, Da:

3.45

IP(EA), eV:

 -8.18(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-14-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-(3-methylbutanoyl)-6-(2-pyridin-3-ylacetyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)C5=CC(=C(C=C5)F)OC)OC

DOS

IR

Vibrations