Geometry & MOs

Info

ID:	142732
PubChem CID:	53082625
Reduced:	ClOSF3N5H11C18 (1)
Stoich.:	ABCD3E5F11G18 (1)
Weight, g/mol:	445.118416
ΔH_f, kcal/mol:	-81.32
Dipole, Da:	6.43
IP(EA), eV:	-9.24(-1.89)
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-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C3=NN=CN23)SCC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations