Geometry & MOs

Info

ID:

420483

PubChem CID:

135113401

Reduced:

N5O5C34H45 (1)

Stoich.:

A5B5C34D45 (1)

Weight, g/mol:

319.189592

ΔHf, kcal/mol:

-210.0

Dipole, Da:

5.42

IP(EA), eV:

 -9.35(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2-oxazole

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)C3CC4=CC=CC=C4C3)C(C)C

DOS

IR

Vibrations