Geometry & MOs

Info

ID:

420056

PubChem CID:

135110935

Reduced:

F2N6O7C33H42 (1)

Stoich.:

A2B6C7D33E42 (1)

Weight, g/mol:

306.132805

ΔHf, kcal/mol:

-375.51

Dipole, Da:

5.6

IP(EA), eV:

 -9.65(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC(=CC=C2)OC(F)F)C)CC3=CC=CC=C3

DOS

IR

Vibrations