Geometry & MOs

Info

ID:	294518
PubChem CID:	117466185
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	287.983477
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	0.89
IP(EA), eV:	-8.17(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-2-(trifluoromethyl)phenyl]methanesulfonyl chloride

Drug info:

PubChemData

Smile

CN1CC(CC1C2=C(C=C3CCCCCC3=C2)OC)CN

DOS

IR

Vibrations