Geometry & MOs

Info

ID:	20723
PubChem CID:	585369
Reduced:	S2N3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	393.118084
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	6.1
IP(EA), eV:	-9.67(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantyloxy)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)OCCNS(=O)(=O)C4=CC=CC5=NSN=C54

DOS

IR

Vibrations