Geometry & MOs

Info

ID:	440675
PubChem CID:	135230900
Reduced:	ClOSN6C19H23 (1)
Stoich.:	ABCD6E19F23 (1)
Weight, g/mol:	392.118608
ΔH_f, kcal/mol:	31.2
Dipole, Da:	4.27
IP(EA), eV:	-8.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-3-chloropyridin-4-yl)sulfanyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine

Drug info:

PubChemData

Smile

C=C[C@H]1CC2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1

DOS

IR

Vibrations