Geometry & MOs

Info

ID:	5305
PubChem CID:	12933
Reduced:	ClS2N3O4C13H18 (1)
Stoich.:	AB2C3D4E13F18 (1)
Weight, g/mol:	379.042726
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	7.04
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(cyclopentylmethyl)-7-(dihydroxyamino)sulfanyl-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine

Drug info:

PubChemData

Smile

C1CCC(C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)SN(O)O)Cl

DOS

IR

Vibrations