Geometry & MOs

Info

ID:	141162
PubChem CID:	52828873
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	427.053074
ΔH_f, kcal/mol:	-146.41
Dipole, Da:	3.93
IP(EA), eV:	-9.73(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-chloro-3-[[(2S)-oxan-2-yl]oxycarbamoyl]phenyl]sulfonyl-(4-fluorophenyl)azanide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NO[C@H]1CCCCO1)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations