Geometry & MOs

Info

ID:	247850
PubChem CID:	103077088
Reduced:	ClOSN7H8C10 (1)
Stoich.:	ABCD7E8F10 (1)
Weight, g/mol:	318.020291
ΔH_f, kcal/mol:	82.88
Dipole, Da:	4.87
IP(EA), eV:	-9.78(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-7-(7H-purin-6-ylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SC3=NC(=O)C=C(N3)N

DOS

IR

Vibrations