Geometry & MOs

Info

ID:	36445
PubChem CID:	8006974
Reduced:	FSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	380.030764
ΔH_f, kcal/mol:	-182.84
Dipole, Da:	9.96
IP(EA), eV:	-9.14(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-dithiolan-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations