Geometry & MOs

Info

ID:

161272

PubChem CID:

57391217

Reduced:

ClO3H4N5C9 (1)

Stoich.:

AB3C4D5E9 (1)

Weight, g/mol:

721.363948

ΔHf, kcal/mol:

103.52

Dipole, Da:

4.59

IP(EA), eV:

 -9.94(-2.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(2R,3S)-2-[(E)-2-(3-fluorophenyl)ethenyl]-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-4-oxo-N-[(1R)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C3C(=C2[N+](=O)[O-])N(N=N3)O)Cl)N=C1

DOS

IR

Vibrations