Geometry & MOs

Info

ID:

302635

PubChem CID:

124385532

Reduced:

NO7C28H33 (1)

Stoich.:

AB7C28D33 (1)

Weight, g/mol:

514.31552

ΔHf, kcal/mol:

-218.89

Dipole, Da:

5.1

IP(EA), eV:

 -8.56(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[4-[[(2R)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CC[C@@]3(CCCC[C@H]3[C@@H]2C4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations