Geometry & MOs

Info

ID:	440676
PubChem CID:	135230902
Reduced:	ClOSN6C17H21 (1)
Stoich.:	ABCD6E17F21 (1)
Weight, g/mol:	416.154994
ΔH_f, kcal/mol:	14.96
Dipole, Da:	3.98
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC12CCOC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl

DOS

IR

Vibrations