Geometry & MOs

Info

ID:

376678

PubChem CID:

134222701

Reduced:

NO5C28H33 (1)

Stoich.:

AB5C28D33 (1)

Weight, g/mol:

605.262482

ΔHf, kcal/mol:

-140.67

Dipole, Da:

5.74

IP(EA), eV:

 -8.76(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4S)-4,5-diacetyloxy-4-(4-acetyloxyphenyl)-2-oxo-6-[(E)-2-[(1R,3S,4S)-1,3,4-trimethylcyclohexyl]ethenyl]-1,3-dihydroquinolin-3-yl] acetate

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@](O1)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=CC=C4)OC)OC)OC

DOS

IR

Vibrations