Geometry & MOs

Info

ID:	29102
PubChem CID:	831647
Reduced:	FNO3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	347.109233
ΔH_f, kcal/mol:	-101.25
Dipole, Da:	1.42
IP(EA), eV:	-9.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations