Geometry & MOs

Info

ID:	159729
PubChem CID:	57288675
Reduced:	F3N3O5H16C18 (1)
Stoich.:	A3B3C5D16E18 (1)
Weight, g/mol:	295.07391
ΔH_f, kcal/mol:	-212.17
Dipole, Da:	8.0
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-2-methyl-1-oxopropan-2-yl) 5-methyl-7-sulfanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

CON=C(C1=CC=CC=C1COC=CNOC2=C(C=CC=N2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations