Geometry & MOs

Info

ID:

304828

PubChem CID:

124766215

Reduced:

N2O5C22H22 (1)

Stoich.:

A2B5C22D22 (1)

Weight, g/mol:

543.273321

ΔHf, kcal/mol:

-138.09

Dipole, Da:

0.42

IP(EA), eV:

 -9.05(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1([C@H]2[C@H]([C@H](N1)C3=CC=CC=C3OC)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations