Geometry & MOs

Info

ID:	160366
PubChem CID:	57309714
Reduced:	N2S3O7C10H10 (1)
Stoich.:	A2B3C7D10E10 (1)
Weight, g/mol:	536.216735
ΔH_f, kcal/mol:	-226.19
Dipole, Da:	6.25
IP(EA), eV:	-9.42(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(2-methoxyphenyl)sulfanyl-1-(2-sulfanylphenoxy)propyl]piperidin-4-yl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(C=C2OS(=O)O)S(=O)(=O)N)C(=C1)S(=O)(=O)N

DOS

IR

Vibrations