Geometry & MOs

Info

ID:	404299
PubChem CID:	135065769
Reduced:	ClNSO2F3C11H13 (1)
Stoich.:	ABCD2E3F11G13 (1)
Weight, g/mol:	319.974933
ΔH_f, kcal/mol:	-248.94
Dipole, Da:	7.78
IP(EA), eV:	-10.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-1-(3-chloro-5,5,5-trifluoropentoxy)benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC(CC(F)(F)F)Cl

DOS

IR

Vibrations