Geometry & MOs

Info

ID:	150764
PubChem CID:	53790460
Reduced:	BrNO2F4H10C17 (1)
Stoich.:	ABC2D4E10F17 (1)
Weight, g/mol:	538.134462
ΔH_f, kcal/mol:	-184.37
Dipole, Da:	4.31
IP(EA), eV:	-9.17(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(benzenesulfonamido)-1-(2,1,3-benzothiadiazol-5-yl)-2-oxoethoxy]-N,N-dimethyl-3-propylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)C2=C(N=C(O2)C(F)(F)F)C3=CC=CC=C3)F

DOS

IR

Vibrations