Geometry & MOs

Info

ID:	242835
PubChem CID:	99213273
Reduced:	BrClSO2N5H11C18 (1)
Stoich.:	ABCD2E5F11G18 (1)
Weight, g/mol:	468.049289
ΔH_f, kcal/mol:	44.42
Dipole, Da:	4.25
IP(EA), eV:	-9.68(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-5-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NN=C(S2)NC(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br)Cl

DOS

IR

Vibrations