Geometry & MOs

Info

ID:	73217
PubChem CID:	48417216
Reduced:	SO3N6H12C14 (1)
Stoich.:	AB3C6D12E14 (1)
Weight, g/mol:	342.101128
ΔH_f, kcal/mol:	19.49
Dipole, Da:	5.99
IP(EA), eV:	-9.65(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)NCCC#N

DOS

IR

Vibrations