Geometry & MOs

Info

ID:

177569

PubChem CID:

76199625

Reduced:

SN3O4C22H27 (1)

Stoich.:

AB3C4D22E27 (1)

Weight, g/mol:

479.245392

ΔHf, kcal/mol:

-61.58

Dipole, Da:

4.08

IP(EA), eV:

 -9.19(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[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]-1-methyl-3-propylurea

Drug info:

PubChemData

Smile

CC1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=NC=C3)OC1CNC)C(C)CO

DOS

IR

Vibrations