Geometry & MOs

Info

ID:

322968

PubChem CID:

126671658

Reduced:

ClS3O8N9C48H58 (1)

Stoich.:

AB3C8D9E48F58 (1)

Weight, g/mol:

588.440327

ΔHf, kcal/mol:

-238.45

Dipole, Da:

17.47

IP(EA), eV:

 -9.04(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[6-[3-(tert-butylamino)propoxy]imidazo[1,2-a]pyridin-2-yl]-N-[2-[6-(2,2-dimethylpropyl)-1-benzofuran-2-yl]ethyl]-2,5-dimethylhexan-2-amine

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCS(=O)(=O)CCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C

DOS

IR

Vibrations