Geometry & MOs

Info

ID:

141682

PubChem CID:

52916189

Reduced:

NO3C28H37 (1)

Stoich.:

AB3C28D37 (1)

Weight, g/mol:

558.294116

ΔHf, kcal/mol:

-131.43

Dipole, Da:

5.08

IP(EA), eV:

 -8.73(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (4R)-4-[(E,3R,4S,6R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-hydroxy-2,4,6-trimethyl-5,7-dioxohept-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C(=C)[C@@H]2CC[C@@H]3[C@]1(C2)CC[C@H]4[C@]3(CCC[C@@]4(C)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations