Geometry & MOs

Info

ID:

177571

PubChem CID:

76199627

Reduced:

N2O2C13H18 (2)

Stoich.:

A2B2C13D18 (2)

Weight, g/mol:

484.239579

ΔHf, kcal/mol:

-129.81

Dipole, Da:

7.17

IP(EA), eV:

 -9.18(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-8-(3-phenylprop-1-ynyl)-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C3=CC=C(C=C3)C)OC1CN(C)C(=O)CN(C)C)C(C)CO

DOS

IR

Vibrations