Geometry & MOs

Info

ID:	430272
PubChem CID:	135170336
Reduced:	NOC11H15 (2)
Stoich.:	ABC11D15 (2)
Weight, g/mol:	431.08343
ΔH_f, kcal/mol:	-64.74
Dipole, Da:	2.75
IP(EA), eV:	-8.17(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,5R,6R)-8-(2H-triazole-4-carbonyl)-8-azatricyclo[4.3.0.02,5]nonan-2-yl]-2,1,3-benzothiadiazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2C3=C1CCCC3)OC)OCCCN4CCCC4

DOS

IR

Vibrations