Geometry & MOs

Info

ID:	13649
PubChem CID:	396501
Reduced:	Cl2S2O3N4H12C14 (1)
Stoich.:	A2B2C3D4E12F14 (1)
Weight, g/mol:	417.972788
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	5.36
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3,4-dichlorophenyl)carbamoyl]-N-(3-sulfamoylphenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations