Geometry & MOs

Info

ID:	73464
PubChem CID:	48417789
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-89.52
Dipole, Da:	7.96
IP(EA), eV:	-8.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(propylsulfonylamino)phenyl]-2-(2-oxoazocan-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC(=C1C)NC(=O)C2=NNC(=C2)C(C)C

DOS

IR

Vibrations