Geometry & MOs

Info

ID:	430180
PubChem CID:	135170243
Reduced:	FO2N3C21H36 (1)
Stoich.:	AB2C3D21E36 (1)
Weight, g/mol:	417.11069
ΔH_f, kcal/mol:	-163.71
Dipole, Da:	4.3
IP(EA), eV:	-8.47(0.98)
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]-1,3-benzodioxole-5-sulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2(C1)CC(C2)N3CCC(CC3)N4CCC[C@@H]4CCF

DOS

IR

Vibrations