Geometry & MOs

Info

ID:

177549

PubChem CID:

76199435

Reduced:

O3N4C29H38 (1)

Stoich.:

A3B4C29D38 (1)

Weight, g/mol:

495.253335

ΔHf, kcal/mol:

-67.26

Dipole, Da:

5.06

IP(EA), eV:

 -8.69(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-fluoro-N-[[5-(1-hydroxypropan-2-yl)-3-methyl-8-(4-methylpent-1-ynyl)-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C3=CC=C(C=C3)C#N)OC1CN(C)CC4CCCCC4)C(C)CO

DOS

IR

Vibrations