Geometry & MOs

Info

ID:

304919

PubChem CID:

124766313

Reduced:

N3O4C24H35 (1)

Stoich.:

A3B4C24D35 (1)

Weight, g/mol:

429.262757

ΔHf, kcal/mol:

-179.32

Dipole, Da:

2.27

IP(EA), eV:

 -9.66(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6S,7R)-2-N-cyclohexyl-6-N-cyclopentyl-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

CC(C)N1[C@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4CCCC4)C(=O)NC5CCCCC5

DOS

IR

Vibrations