Geometry & MOs

Info

ID:	211051
PubChem CID:	80888857
Reduced:	SN5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	288.090564
ΔH_f, kcal/mol:	76.23
Dipole, Da:	2.64
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)SC2=NC=NC=C2

DOS

IR

Vibrations