Geometry & MOs

Info

ID:	162020
PubChem CID:	57393364
Reduced:	ClNSF2O3H16C17 (1)
Stoich.:	ABCD2E3F16G17 (1)
Weight, g/mol:	418.172894
ΔH_f, kcal/mol:	-192.54
Dipole, Da:	10.36
IP(EA), eV:	-9.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-yl]-2,8-diazaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CNC[C@H]2[C@@H]1C3=C(O2)C=C(C=C3)S(=O)(=O)C4=CC(=CC(=C4)F)F.Cl

DOS

IR

Vibrations