Geometry & MOs

Info

ID:	162506
PubChem CID:	57394887
Reduced:	BrSO2N4H13C17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	417.01466
ΔH_f, kcal/mol:	38.14
Dipole, Da:	9.72
IP(EA), eV:	-9.03(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-(1-propylindol-3-yl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C=CCN1C=C(C2=CC=CC=C21)C3=NS(=O)(=O)C4=C(N3)N=CC(=C4)Br

DOS

IR

Vibrations