Geometry & MOs

Info

ID:	312982
PubChem CID:	126610604
Reduced:	FSO2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	284.073182
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	5.28
IP(EA), eV:	-8.89(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-quinolin-6-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CC(=CC(=C2)F)OC

DOS

IR

Vibrations