Geometry & MOs

Info

ID:	67919
PubChem CID:	46507430
Reduced:	ClSN4H17C19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	429.162332
ΔH_f, kcal/mol:	96.52
Dipole, Da:	4.26
IP(EA), eV:	-8.88(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(3-methylphenyl)-4-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanylmethyl]-1,3-oxazole

Drug info:

PubChemData

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CC(C)C1=NN=C2N1C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations