Geometry & MOs

Info

ID:	437793
PubChem CID:	135227078
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	322.96271
ΔH_f, kcal/mol:	13.43
Dipole, Da:	1.52
IP(EA), eV:	-8.09(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(1,3-dioxolan-2-ylmethyl)-imino-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC)N

DOS

IR

Vibrations