Geometry & MOs

Info

ID:	67927
PubChem CID:	46507444
Reduced:	ClOSN5H20C23 (1)
Stoich.:	ABCD5E20F23 (1)
Weight, g/mol:	348.140868
ΔH_f, kcal/mol:	89.11
Dipole, Da:	4.86
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylphenyl)methylsulfanyl]-1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)CSC3=NC4=CC=CC=C4N5C3=NN=C5C(C)C

DOS

IR

Vibrations