Geometry & MOs

Info

ID:	58038
PubChem CID:	24423662
Reduced:	FCl2O2S2N3H14C19 (1)
Stoich.:	AB2C2D2E3F14G19 (1)
Weight, g/mol:	465.013924
ΔH_f, kcal/mol:	-48.84
Dipole, Da:	5.98
IP(EA), eV:	-8.97(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-3-[3-[(2-chlorophenyl)sulfamoyl]phenyl]thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NC3=CC(=C(C=C3)F)Cl)Cl

DOS

IR

Vibrations