Geometry & MOs

Info

ID:

177556

PubChem CID:

76199442

Reduced:

NOC8H11 (3)

Stoich.:

ABC8D11 (3)

Weight, g/mol:

516.209422

ΔHf, kcal/mol:

-94.09

Dipole, Da:

3.42

IP(EA), eV:

 -9.12(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[8-(cyclopenten-1-yl)-2-(1-hydroxypropan-2-yl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCN(C)CC1C(CN(C(=O)C2=C(O1)N=CC(=C2)C3=CC=CC=C3)C(C)CO)C

DOS

IR

Vibrations