Geometry & MOs

Info

ID:	372482
PubChem CID:	131298366
Reduced:	ClNSF2O3H8C10 (1)
Stoich.:	ABCD2E3F8G10 (1)
Weight, g/mol:	321.87747
ΔH_f, kcal/mol:	-179.64
Dipole, Da:	8.69
IP(EA), eV:	-10.83(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-5-chloro-4-(chloromethyl)-2-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)S(=O)(=O)Cl)C#N)OC(F)F

DOS

IR

Vibrations