Geometry & MOs

Info

ID:

163776

PubChem CID:

74374229

Reduced:

SN2O6C24H26 (1)

Stoich.:

AB2C6D24E26 (1)

Weight, g/mol:

581.124369

ΔHf, kcal/mol:

-132.11

Dipole, Da:

4.85

IP(EA), eV:

 -8.27(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[7-[[5-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C2=COC3CC(CCC3C2=O)OCC4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations