Geometry & MOs

Info

ID:	236186
PubChem CID:	92711880
Reduced:	BrSN3O3H12C14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	349.055484
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	5.3
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3-methylsulfanylphenyl)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N[C@@H](NS2(=O)=O)C(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations