Geometry & MOs

Info

ID:	67921
PubChem CID:	46507433
Reduced:	SO2N5C26H27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	459.172896
ΔH_f, kcal/mol:	41.03
Dipole, Da:	5.77
IP(EA), eV:	-8.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-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(N=C(O1)C2=CC=C(C=C2)OC(C)C)CSC3=NC4=CC=CC=C4N5C3=NN=C5C(C)C

DOS

IR

Vibrations