Geometry & MOs

Info

ID:	170753
PubChem CID:	75276718
Reduced:	FS2N3O5C22H38 (1)
Stoich.:	AB2C3D5E22F38 (1)
Weight, g/mol:	545.165428
ΔH_f, kcal/mol:	-291.06
Dipole, Da:	6.01
IP(EA), eV:	-8.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(4,4-dimethylpentyl)-4-methyl-1,3-dioxonaphthalen-2-ylidene]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CCSCCCCCCCCCCCC(=O)O.C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F

DOS

IR

Vibrations