Geometry & MOs

Info

ID:	437711
PubChem CID:	135226876
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	286.94158
ΔH_f, kcal/mol:	8.3
Dipole, Da:	6.95
IP(EA), eV:	-8.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-fluorophenyl)sulfinylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)NC=C3)C4=CN(C(=O)C5=C4C=CN5)C

DOS

IR

Vibrations