Geometry & MOs

Info

ID:	56165
PubChem CID:	17422332
Reduced:	N2O2F4H14C17 (1)
Stoich.:	A2B2C4D14E17 (1)
Weight, g/mol:	350.098352
ΔH_f, kcal/mol:	-244.49
Dipole, Da:	6.52
IP(EA), eV:	-9.26(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N(CCC(=O)N)C2=CC=C(C=C2)F)C(F)(F)F

DOS

IR

Vibrations