Geometry & MOs

Info

ID:	84047
PubChem CID:	49863867
Reduced:	OF6N6H12C21 (1)
Stoich.:	AB6C6D12E21 (1)
Weight, g/mol:	460.006675
ΔH_f, kcal/mol:	-223.24
Dipole, Da:	2.4
IP(EA), eV:	-9.57(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C(F)(F)F)NC2=C3C=CC(=NC3=NC=C2)C4=NC=CC(=C4C(F)(F)F)C(=O)N

DOS

IR

Vibrations