Geometry & MOs

Info

ID:

233627

PubChem CID:

91146366

Reduced:

F3N3O5C24H32 (1)

Stoich.:

A3B3C5D24E32 (1)

Weight, g/mol:

571.23368

ΔHf, kcal/mol:

-401.65

Dipole, Da:

6.44

IP(EA), eV:

 -9.93(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-3-amino-4-phenylbutan-2-one;(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@H](C1)CO)N2CC[C@@H](C2=O)NC(=O)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations