Geometry & MOs

Info

ID:	441696
PubChem CID:	135241139
Reduced:	FSN3O3C6H8 (1)
Stoich.:	ABC3D3E6F8 (1)
Weight, g/mol:	459.160807
ΔH_f, kcal/mol:	-114.24
Dipole, Da:	7.51
IP(EA), eV:	-10.05(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-[5-(2-amino-3-chloropyridin-4-yl)sulfanyl-6-methylimidazo[1,5-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

Drug info:

PubChemData

Smile

C1C(COC2=C(C=NN21)S(=O)(=O)N)F

DOS

IR

Vibrations