Geometry & MOs

Info

ID:

417083

PubChem CID:

135091291

Reduced:

N6O7C39H44 (1)

Stoich.:

A6B7C39D44 (1)

Weight, g/mol:

304.117155

ΔHf, kcal/mol:

-203.91

Dipole, Da:

6.51

IP(EA), eV:

 -8.59(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)CCC5=CC=CC=C5OC)C6=CC=CC=C6

DOS

IR

Vibrations