Geometry & MOs

Info

ID:	436146
PubChem CID:	135194120
Reduced:	ClSN3O4C19H22 (1)
Stoich.:	ABC3D4E19F22 (1)
Weight, g/mol:	437.120772
ΔH_f, kcal/mol:	-148.75
Dipole, Da:	7.28
IP(EA), eV:	-9.97(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-4-[5-[(2S,4R)-2,4-dimethyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanylpyridin-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC(C(C1)(C)C)C2=C(C=CC(=N2)Cl)C(=O)NS(=O)(=O)C3=CC=CNC3=O

DOS

IR

Vibrations