Geometry & MOs

Info

ID:	142733
PubChem CID:	53082759
Reduced:	OSF3N5H18C21 (1)
Stoich.:	ABC3D5E18F21 (1)
Weight, g/mol:	445.118416
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	6.52
IP(EA), eV:	-9.25(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations