Geometry & MOs

Info

ID:	13650
PubChem CID:	396503
Reduced:	Cl2O3S3N6H8C10 (1)
Stoich.:	A2B3C3D6E8F10 (1)
Weight, g/mol:	425.919707
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	3.48
IP(EA), eV:	-9.49(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)carbamoyl]-N'-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)NC(=NC2=NN=C(S2)S(=O)(=O)N)S)Cl)Cl

DOS

IR

Vibrations