Geometry & MOs

Info

ID:	437724
PubChem CID:	135226889
Reduced:	BrNSF2O2H10C16 (1)
Stoich.:	ABCD2E2F10G16 (1)
Weight, g/mol:	270.94666
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	6.15
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1(C#N)S(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)F)F)Br

DOS

IR

Vibrations