Geometry & MOs

Info

ID:

423843

PubChem CID:

135120479

Reduced:

FSN5O7C34H48 (1)

Stoich.:

ABC5D7E34F48 (1)

Weight, g/mol:

429.206385

ΔHf, kcal/mol:

-335.0

Dipole, Da:

9.36

IP(EA), eV:

 -8.91(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-fluoro-3-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-7-morpholin-4-yl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)S(=O)(=O)C3=C(C=CC(=C3)F)C

DOS

IR

Vibrations