Geometry & MOs

Info

ID:	247830
PubChem CID:	103076937
Reduced:	ClOSN5C10H14 (1)
Stoich.:	ABCD5E10F14 (1)
Weight, g/mol:	301.076409
ΔH_f, kcal/mol:	45.55
Dipole, Da:	3.01
IP(EA), eV:	-8.7(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-N-(4-methylsulfinylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC(C)CS(=O)C

DOS

IR

Vibrations