Geometry & MOs

Info

ID:

144531

PubChem CID:

53382792

Reduced:

ClSN3O4C22H28 (1)

Stoich.:

ABC3D4E22F28 (1)

Weight, g/mol:

432.112185

ΔHf, kcal/mol:

-132.83

Dipole, Da:

2.92

IP(EA), eV:

 -9.04(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(3R,6aR,8S,10aR)-1-(2-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](COC[C@@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations