Geometry & MOs

Info

ID:

304824

PubChem CID:

124766211

Reduced:

FN3O4C28H28 (1)

Stoich.:

AB3C4D28E28 (1)

Weight, g/mol:

417.262757

ΔHf, kcal/mol:

-120.08

Dipole, Da:

2.98

IP(EA), eV:

 -8.75(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3C=C[C@]4([C@H]2C(=O)N([C@@H]4C(=O)NC5CCCC5)C6=CC=CC=C6F)O3

DOS

IR

Vibrations