Geometry & MOs

Info

ID:	406147
PubChem CID:	135076716
Reduced:	NSF3O4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	373.93791
ΔH_f, kcal/mol:	-244.79
Dipole, Da:	3.18
IP(EA), eV:	-8.48(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-chloro-5-methylphenyl) 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=NC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations