Geometry & MOs

Info

ID:	437700
PubChem CID:	135226865
Reduced:	FOSN2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	264.95723
ΔH_f, kcal/mol:	-45.87
Dipole, Da:	3.48
IP(EA), eV:	-8.43(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-ethyl-imino-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

CC(C)SC1=CC(=C(C=C1)F)C2=CN(C(=O)C3=C2C=CN3)C

DOS

IR

Vibrations