Geometry & MOs

Info

ID:

419180

PubChem CID:

135107681

Reduced:

O6N7C35H49 (1)

Stoich.:

A6B7C35D49 (1)

Weight, g/mol:

292.117155

ΔHf, kcal/mol:

-240.94

Dipole, Da:

8.48

IP(EA), eV:

 -9.5(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)CC(C)C)C(=O)C2=CN=CC=C2)CC3=CC=CC=C3)C(C)C

DOS

IR

Vibrations