Geometry & MOs

Info

ID:

177544

PubChem CID:

76199430

Reduced:

FN4O4C28H31 (1)

Stoich.:

AB4C4D28E31 (1)

Weight, g/mol:

541.257671

ΔHf, kcal/mol:

-140.33

Dipole, Da:

1.77

IP(EA), eV:

 -9.42(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[[5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-8-(3-phenylprop-1-ynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl-methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C3=CC=C(C=C3)F)OC1CN(C)C(=O)CC4=CC=CC=N4)C(C)CO

DOS

IR

Vibrations