Geometry & MOs

Info

ID:	135915
PubChem CID:	51957040
Reduced:	ClSN3O5H17C19 (1)
Stoich.:	ABC3D5E17F19 (1)
Weight, g/mol:	486.068412
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	10.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770399
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[2-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]sulfamoyl]-2-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N=C3C=C(C=CC3=C(N4CCCC4)[O-])Cl)OC1=O

DOS

IR

Vibrations