Geometry & MOs

Info

ID:	67926
PubChem CID:	46507441
Reduced:	FOSN4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	449.107709
ΔH_f, kcal/mol:	66.95
Dipole, Da:	1.65
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NN=C(C=C3)C4=CC=CC=C4F)C

DOS

IR

Vibrations