Geometry & MOs

Info

ID:	59028
PubChem CID:	24770361
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	572.414228
ΔH_f, kcal/mol:	-187.67
Dipole, Da:	3.43
IP(EA), eV:	-8.75(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chloro-(4-methylphenyl)sulfonylazanide;methyl(trioctyl)azanium

Drug info:

PubChemData

Smile

COC(=O)[C@@]1(C(=O)[C@]23CCCN4[C@@H]2[C@@]5([C@]1(CC3)NC6=C5C=CC7=C6OCO7)CC4)O

DOS

IR

Vibrations