Geometry & MOs

Info

ID:

420066

PubChem CID:

135110977

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

384.179755

ΔHf, kcal/mol:

-201.65

Dipole, Da:

4.25

IP(EA), eV:

 -8.92(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)CN3CCC4=CC=CC=C4C3)C(C)C

DOS

IR

Vibrations