Geometry & MOs

Info

ID:

192764

PubChem CID:

78308795

Reduced:

SN2O8H22C25 (1)

Stoich.:

AB2C8D22E25 (1)

Weight, g/mol:

530.115699

ΔHf, kcal/mol:

-190.66

Dipole, Da:

4.89

IP(EA), eV:

 -9.21(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6-oxo-4,4a,5,7,8,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC2C=C3C=C4C(=CC3=NC2=O)OCO4)CC5=CC=CO5

DOS

IR

Vibrations