Geometry & MOs

Info

ID:

177560

PubChem CID:

76199446

Reduced:

FSN3O5C27H34 (1)

Stoich.:

ABC3D5E27F34 (1)

Weight, g/mol:

447.236936

ΔHf, kcal/mol:

-195.92

Dipole, Da:

7.07

IP(EA), eV:

 -8.88(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[8-(3-hydroxy-3-methylbut-1-ynyl)-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide

Drug info:

PubChemData

Smile

CCCC#CC1=CC2=C(C=C1)S(=O)(=O)N(CC(C(O2)CN(C)C(=O)NC3=CC=CC=C3F)C)C(C)CO

DOS

IR

Vibrations