Geometry & MOs

Info

ID:	219762
PubChem CID:	85164869
Reduced:	OS2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	593.13221
ΔH_f, kcal/mol:	48.09
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.205314
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-sulfamoylphenyl)-2-[methyl-(N'-tritylsulfanylcarbamimidoyl)amino]acetamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2SC1=CC3=[N+](C(=O)C(=CC=C4C=CC=CN4C)S3)CC

DOS

IR

Vibrations