Geometry & MOs

Info

ID:	437698
PubChem CID:	135226863
Reduced:	SF2N3O3C21H23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	235.023391
ΔH_f, kcal/mol:	-165.94
Dipole, Da:	4.58
IP(EA), eV:	-8.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-fluorophenyl)-imino-oxo-propan-2-yl-lambda6-sulfane

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C)OC4CCC(CC4)(F)F

DOS

IR

Vibrations