Geometry & MOs

Info

ID:	437753
PubChem CID:	135226982
Reduced:	SF3N3O4H20C24 (1)
Stoich.:	AB3C3D4E20F24 (1)
Weight, g/mol:	338.99286
ΔH_f, kcal/mol:	-186.81
Dipole, Da:	3.53
IP(EA), eV:	-8.46(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(cyclopropylmethoxy)phenyl]sulfinylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C4CC4)OC5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations