Geometry & MOs

Info

ID:	205098
PubChem CID:	80055047
Reduced:	FNSO2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	425.93229
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	4.53
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-(bromomethyl)-1-(3-methylsulfonylcyclohexyl)oxybenzene

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)/C=C/C(=O)O)CSC2=CC=NC=C2

DOS

IR

Vibrations