Geometry & MOs

Info

ID:	136947
PubChem CID:	52127979
Reduced:	OS2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	437.142757
ΔH_f, kcal/mol:	-12.69
Dipole, Da:	4.69
IP(EA), eV:	-8.92(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-chlorophenyl)methylsulfonyl]ethyl]-4-hexoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)NCCSCC(C)C

DOS

IR

Vibrations