Geometry & MOs

Info

ID:	49854
PubChem CID:	11533961
Reduced:	OSN2C35H44 (1)
Stoich.:	ABC2D35E44 (1)
Weight, g/mol:	538.95872
ΔH_f, kcal/mol:	31.0
Dipole, Da:	2.98
IP(EA), eV:	-8.73(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-[4-chloro-2-hydroxy-3-(3-methylsulfonylpropylsulfamoyl)phenyl]urea

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)C#CC3=CC=CS3)C4CCN(CC4)CCC(C)C

DOS

IR

Vibrations