Geometry & MOs

Info

ID:

242680

PubChem CID:

98457904

Reduced:

N3O5C32H37 (1)

Stoich.:

A3B5C32D37 (1)

Weight, g/mol:

535.304621

ΔHf, kcal/mol:

-143.75

Dipole, Da:

5.37

IP(EA), eV:

 -8.16(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6S,7S)-3-cyclohexyl-2-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-6-N-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H]2[C@@]34C=C[C@@H](O3)[C@H]([C@H]4C(=O)N2CC5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)OC

DOS

IR

Vibrations