Geometry & MOs

Info

ID:

177543

PubChem CID:

76199429

Reduced:

N4O5C26H32 (1)

Stoich.:

A4B5C26D32 (1)

Weight, g/mol:

506.232934

ΔHf, kcal/mol:

-135.29

Dipole, Da:

4.25

IP(EA), eV:

 -9.44(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[8-(4-fluorophenyl)-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-2-ylacetamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C#CC(C)O)OC1CN(C)C(=O)CC3=CC=NC=C3)C(C)CO

DOS

IR

Vibrations