Geometry & MOs

Info

ID:	17160
PubChem CID:	486495
Reduced:	Cl2O2S2N3H11C15 (1)
Stoich.:	A2B2C2D3E11F15 (1)
Weight, g/mol:	398.966974
ΔH_f, kcal/mol:	-3.45
Dipole, Da:	4.75
IP(EA), eV:	-9.75(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-N'-[(2,6-dichlorophenyl)methylsulfonyl]carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CS(=O)(=O)N=C(NC2=CC=C(C=C2)C#N)S)Cl

DOS

IR

Vibrations