Geometry & MOs

Info

ID:

421099

PubChem CID:

135115381

Reduced:

SO7N8C36H44 (1)

Stoich.:

AB7C8D36E44 (1)

Weight, g/mol:

357.14887

ΔHf, kcal/mol:

-191.18

Dipole, Da:

15.46

IP(EA), eV:

 -8.07(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-fluoro-2-[[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5=CC=CO5)C

DOS

IR

Vibrations