Geometry & MOs

Info

ID:	430138
PubChem CID:	135170199
Reduced:	FSO3N5H18C19 (1)
Stoich.:	ABC3D5E18F19 (1)
Weight, g/mol:	447.113188
ΔH_f, kcal/mol:	-12.97
Dipole, Da:	2.77
IP(EA), eV:	-9.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[1-[(1R,5R,6R)-8-(2H-triazole-4-carbonyl)-8-azatricyclo[4.3.0.02,5]nonan-2-yl]prop-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C#C/C=C/C1[C@H]2CN(C[C@H]2CN1S(=O)(=O)C3=CC=CC=C3F)C(=O)C4=NNN=C4

DOS

IR

Vibrations