Geometry & MOs

Info

ID:

304708

PubChem CID:

124766081

Reduced:

N3O6C28H33 (1)

Stoich.:

A3B6C28D33 (1)

Weight, g/mol:

415.247107

ΔHf, kcal/mol:

-201.93

Dipole, Da:

5.75

IP(EA), eV:

 -8.41(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=C(C=C3)N(C)C)C(=O)N(C2=O)C4=CC5=C(C=C4)OCCO5)C(=O)OCC

DOS

IR

Vibrations