Geometry & MOs

Info

ID:

83592

PubChem CID:

49858483

Reduced:

N3O4C33H39 (1)

Stoich.:

A3B4C33D39 (1)

Weight, g/mol:

741.36253

ΔHf, kcal/mol:

-48.6

Dipole, Da:

4.87

IP(EA), eV:

 -7.92(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,5S,6R)-1-[4-[2-[(2R,3R,6R)-3-(4-methoxyphenoxy)-2-(propylcarbamoyloxymethyl)-3,6-dihydro-2H-pyran-6-yl]ethoxyiminomethyl]benzoyl]-5-methyl-6-(4-methylphenyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(CCCN2CCC(=NOC[C@H]3[C@H](C=C[C@H](O3)C4=CC=CC=C4)OC5=CC=C(C=C5)OC)C)N=C1C

DOS

IR

Vibrations