Geometry & MOs

Info

ID:	437734
PubChem CID:	135226963
Reduced:	SO2N4C23H28 (1)
Stoich.:	AB2C4D23E28 (1)
Weight, g/mol:	244.93101
ΔH_f, kcal/mol:	4.2
Dipole, Da:	6.94
IP(EA), eV:	-8.49(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-fluorophenyl)sulfanylacetonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C4CCCC4)NCC5CC5

DOS

IR

Vibrations