Geometry & MOs

Info

ID:

304709

PubChem CID:

124766082

Reduced:

N3O4C23H33 (1)

Stoich.:

A3B4C23D33 (1)

Weight, g/mol:

415.247107

ΔHf, kcal/mol:

-140.46

Dipole, Da:

0.85

IP(EA), eV:

 -9.5(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5R,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

CC(C)(C)NC(=O)[C@H]1[C@@]23C=C[C@@H](O2)[C@H]([C@@H]3C(=O)N1C4CC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations