Geometry & MOs

Info

ID:

432373

PubChem CID:

135172506

Reduced:

N2O4C15H22 (1)

Stoich.:

A2B4C15D22 (1)

Weight, g/mol:

1003.408452

ΔHf, kcal/mol:

-175.07

Dipole, Da:

1.97

IP(EA), eV:

 -9.06(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[3-[4-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxybutoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCC2=C(C1)N=C(N2C)C(=O)OC

DOS

IR

Vibrations