Geometry & MOs

Info

ID:	67920
PubChem CID:	46507432
Reduced:	OSN5H23C24 (1)
Stoich.:	ABC5D23E24 (1)
Weight, g/mol:	473.188546
ΔH_f, kcal/mol:	88.58
Dipole, Da:	5.39
IP(EA), eV:	-8.69(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=C(O2)C)CSC3=NC4=CC=CC=C4N5C3=NN=C5C(C)C

DOS

IR

Vibrations