Geometry & MOs

Info

ID:	442962
PubChem CID:	135257150
Reduced:	ClON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	473.176457
ΔH_f, kcal/mol:	104.22
Dipole, Da:	4.87
IP(EA), eV:	-8.44(-0.67)
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[1,2-a]pyrazin-8-yl]-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-4-amine

Drug info:

PubChemData

Smile

C1CC2CN(C[C@H]1C2=O)C3=CC(=CN4C3=CN=C4)Cl

DOS

IR

Vibrations