Geometry & MOs

Info

ID:

396618

PubChem CID:

135028886

Reduced:

NOC28H29 (1)

Stoich.:

ABC28D29 (1)

Weight, g/mol:

516.262422

ΔHf, kcal/mol:

15.46

Dipole, Da:

1.65

IP(EA), eV:

 -8.31(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-ethoxy-3-[4-[2-[6-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(NC2=CC=CC=C12)[C@H]3[C@@H]([C@@H](C4=CC=CC=C4O3)CC(C)C)C5=CC=CC=C5

DOS

IR

Vibrations