Geometry & MOs

Info

ID:

80669

PubChem CID:

49835825

Reduced:

ON2C16H16 (1)

Stoich.:

AB2C16D16 (1)

Weight, g/mol:

569.219572

ΔHf, kcal/mol:

41.32

Dipole, Da:

2.1

IP(EA), eV:

 -8.52(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COCCN1C2=CC=CC=C2C(=N1)C3=CC=CC=C3

DOS

IR

Vibrations