Geometry & MOs

Info

ID:	46822
PubChem CID:	10527608
Reduced:	ClNSO4C23H30 (1)
Stoich.:	ABCD4E23F30 (1)
Weight, g/mol:	450.874788
ΔH_f, kcal/mol:	-167.48
Dipole, Da:	3.88
IP(EA), eV:	-9.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-6-(trifluoromethylsulfonylamino)benzene-1,3-disulfonamide

Drug info:

PubChemData

Smile

CCCCCC(C1=CC=C(C=C1)CCCCC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations