Geometry & MOs

Info

ID:	294934
PubChem CID:	117506130
Reduced:	BrO2F3H10C12 (1)
Stoich.:	AB2C3D10E12 (1)
Weight, g/mol:	321.944505
ΔH_f, kcal/mol:	-186.53
Dipole, Da:	3.73
IP(EA), eV:	-10.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]methanesulfonyl chloride

Drug info:

PubChemData

Smile

C1CC1C(CC(=O)O)C2=C(C(=C(C=C2F)F)Br)F

DOS

IR

Vibrations