Geometry & MOs

Info

ID:	136988
PubChem CID:	52134963
Reduced:	SO3N8C22H30 (1)
Stoich.:	AB3C8D22E30 (1)
Weight, g/mol:	332.14193
ΔH_f, kcal/mol:	-19.81
Dipole, Da:	9.02
IP(EA), eV:	-8.66(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NC(=NC=C2C(=O)OCC)N3CCOCC3)CCC4=CN(N=C4)C

DOS

IR

Vibrations