Geometry & MOs

Info

ID:	126419
PubChem CID:	50964330
Reduced:	N2F3O4H15C16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	352.121864
ΔH_f, kcal/mol:	-277.94
Dipole, Da:	4.98
IP(EA), eV:	-9.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-methyl-5-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-1,2,4-triazol-1-yl]quinoline

Drug info:

PubChemData

Smile

CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N[C@@H]2C3=CC(=C(C=C3F)F)F)C(=O)OC

DOS

IR

Vibrations