Geometry & MOs

Info

ID:	448920
PubChem CID:	135294499
Reduced:	ClSN4C20H31 (1)
Stoich.:	ABC4D20E31 (1)
Weight, g/mol:	377.107709
ΔH_f, kcal/mol:	41.71
Dipole, Da:	5.22
IP(EA), eV:	-8.12(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C=N\C(=C/S/C(=C/C=C)/C(=C(\C)/N)/Cl)\N1CCC2(CCC2N)CC1

DOS

IR

Vibrations