Geometry & MOs

Info

ID:

376681

PubChem CID:

134222704

Reduced:

NO7C30H33 (1)

Stoich.:

AB7C30D33 (1)

Weight, g/mol:

475.272259

ΔHf, kcal/mol:

-240.25

Dipole, Da:

4.61

IP(EA), eV:

 -8.89(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4S)-3-methoxy-5-methyl-2-oxo-4-phenyl-6-[(E)-2-[(1R,3S,4S)-1,3,4-trimethylcyclohexyl]ethenyl]-1,3-dihydroquinolin-4-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(=O)C)OC)OC(=O)C

DOS

IR

Vibrations