Geometry & MOs

Info

ID:	20717
PubChem CID:	585362
Reduced:	NSCl2F3O3H8C13 (1)
Stoich.:	ABC2D3E3F8G13 (1)
Weight, g/mol:	384.955404
ΔH_f, kcal/mol:	-243.65
Dipole, Da:	4.07
IP(EA), eV:	-9.55(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichloropyridin-2-yl) [4-(trifluoromethyl)phenyl]methanesulfonate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)(=O)OC2=C(C=C(C=N2)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations