Geometry & MOs

Info

ID:	133877
PubChem CID:	51606769
Reduced:	FO2N5C23H35 (1)
Stoich.:	AB2C5D23E35 (1)
Weight, g/mol:	421.019585
ΔH_f, kcal/mol:	-75.27
Dipole, Da:	8.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757124
Charge, e:	-1

Chem-info

IUPAC name:

4-chloro-N-[5-[methyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzenecarboximidate

Drug info:

PubChemData

Smile

C[NH+]1[C@@H]2CCN([C@@H]2C(=O)NC[C@@H]1CCC(=O)N3CCN(CC3)C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations