Geometry & MOs

Info

ID:	437778
PubChem CID:	135227007
Reduced:	FSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	415.90843
ΔH_f, kcal/mol:	-55.24
Dipole, Da:	3.23
IP(EA), eV:	-8.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(4,4-difluorocyclohexyl)oxy-4-iodobenzene

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)F)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations