Geometry & MOs

Info

ID:	437840
PubChem CID:	135227126
Reduced:	BrFNOSC11H13 (1)
Stoich.:	ABCDEF11G13 (1)
Weight, g/mol:	354.9478
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	3.14
IP(EA), eV:	-9.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-4-(2,4-difluorophenoxy)phenyl]sulfanylacetonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)S(=N)(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations