Geometry & MOs

Info

ID:

323018

PubChem CID:

126671721

Reduced:

ClS2O7N8C50H61 (1)

Stoich.:

AB2C7D8E50F61 (1)

Weight, g/mol:

536.245727

ΔHf, kcal/mol:

-202.6

Dipole, Da:

14.38

IP(EA), eV:

 -9.01(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-2-cyclobutylacetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations