Geometry & MOs

Info

ID:

309215

PubChem CID:

126540455

Reduced:

N5O6C27H33 (1)

Stoich.:

A5B6C27D33 (1)

Weight, g/mol:

534.227848

ΔHf, kcal/mol:

-203.0

Dipole, Da:

6.65

IP(EA), eV:

 -8.3(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(5S)-3-[4-[4-[(3E,6E)-2,5-dioxo-7-phenylhepta-3,6-dienyl]piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1CC3=CC=C(C=C3)CN(C[C@H]([C@@H]([C@@H](C(CO)O)O)O)O)C(=O)C)C4=CC=CC=C4N=C2N

DOS

IR

Vibrations