Geometry & MOs

Info

ID:	247858
PubChem CID:	103077118
Reduced:	ClOSN4C10H13 (1)
Stoich.:	ABCD4E10F13 (1)
Weight, g/mol:	274.029125
ΔH_f, kcal/mol:	20.85
Dipole, Da:	5.03
IP(EA), eV:	-9.45(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SC(C)CCO

DOS

IR

Vibrations