Geometry & MOs

Info

ID:	168828
PubChem CID:	75024500
Reduced:	ClON3C26H36 (1)
Stoich.:	ABC3D26E36 (1)
Weight, g/mol:	495.014797
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	2.57
IP(EA), eV:	-8.72(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-4-methyl-2-sulfamoylphenyl) N-(benzenesulfonamido)benzenecarboximidothioate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)CC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3C(CC(C)C)N

DOS

IR

Vibrations