Geometry & MOs

Info

ID:	437723
PubChem CID:	135226888
Reduced:	FO2S2N3H20C22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	396.95837
ΔH_f, kcal/mol:	-21.8
Dipole, Da:	3.33
IP(EA), eV:	-8.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(2,4-difluorophenoxy)phenyl]sulfinylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations