Geometry & MOs

Info

ID:	317862
PubChem CID:	126646538
Reduced:	ClSN2F4O4C31H35 (1)
Stoich.:	ABC2D4E4F31G35 (1)
Weight, g/mol:	198.069045
ΔH_f, kcal/mol:	-335.58
Dipole, Da:	5.2
IP(EA), eV:	-9.15(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;8-sulfanyloctanoate

Drug info:

PubChemData

Smile

CC(=O)NCC1=C(C=C(C=C1S(=O)(=O)C)OCCCN(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C)(C)C3=CC=CC=C3)F

DOS

IR

Vibrations