Geometry & MOs

Info

ID:

320978

PubChem CID:

126664329

Reduced:

ClN5O5C27H30 (1)

Stoich.:

AB5C5D27E30 (1)

Weight, g/mol:

539.193547

ΔHf, kcal/mol:

-122.14

Dipole, Da:

4.42

IP(EA), eV:

 -9.44(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[(1S)-1-azido-2-oxo-2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)ethyl]-4-(4-chlorophenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Cl)[C@@H](C(=O)N3[C@H](COC3=O)C4=CC=CC=C4)N=[N+]=[N-]

DOS

IR

Vibrations