Geometry & MOs

Info

ID:

176299

PubChem CID:

76030252

Reduced:

SF2N2O5C21H24 (1)

Stoich.:

AB2C2D5E21F24 (1)

Weight, g/mol:

498.236601

ΔHf, kcal/mol:

-267.79

Dipole, Da:

6.32

IP(EA), eV:

 -9.63(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CC(C(OC1CCNC(=O)C2=CC=C(C=C2)F)CO)NS(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations