Geometry & MOs

Info

ID:

314071

PubChem CID:

126620281

Reduced:

IO4N5C24H28 (1)

Stoich.:

AB4C5D24E28 (1)

Weight, g/mol:

511.225326

ΔHf, kcal/mol:

-73.24

Dipole, Da:

3.1

IP(EA), eV:

 -9.08(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[3-methyl-2-(4-methylpyrazol-1-yl)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)C)N4C=C(C=N4)I)O

DOS

IR

Vibrations