Geometry & MOs

Info

ID:

177565

PubChem CID:

76199451

Reduced:

SN3O5C27H41 (1)

Stoich.:

AB3C5D27E41 (1)

Weight, g/mol:

471.273321

ΔHf, kcal/mol:

-160.64

Dipole, Da:

6.23

IP(EA), eV:

 -9.22(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CCN(C)C)OC1CN(C)C(=O)C3CCCCC3)C(C)CO

DOS

IR

Vibrations