Geometry & MOs

Info

ID:	65591
PubChem CID:	46386655
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	-29.44
Dipole, Da:	6.03
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C)C

DOS

IR

Vibrations