Geometry & MOs

Info

ID:	437719
PubChem CID:	135226884
Reduced:	SF2N2O2H20C24 (1)
Stoich.:	AB2C2D2E20F24 (1)
Weight, g/mol:	301.95247
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	3.02
IP(EA), eV:	-8.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-4-fluorophenyl)sulfonimidoyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC4CCC4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations