Geometry & MOs

Info

ID:	227896
PubChem CID:	87562909
Reduced:	ClSO2N4H11C14 (1)
Stoich.:	ABC2D4E11F14 (1)
Weight, g/mol:	726.72136
ΔH_f, kcal/mol:	23.19
Dipole, Da:	8.36
IP(EA), eV:	-9.14(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propanedioate;triheptylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C3=CNN=C3)Cl

DOS

IR

Vibrations