Geometry & MOs

Info

ID:	342910
PubChem CID:	127266073
Reduced:	BrNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-120.58
Dipole, Da:	3.27
IP(EA), eV:	-9.92(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-N-(2-methoxy-6-methylsulfanylphenyl)pentanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CCS(=O)(=O)C1=CC(=CC=C1)Br

DOS

IR

Vibrations