Geometry & MOs

Info

ID:	65589
PubChem CID:	46386653
Reduced:	OSN4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	46.27
Dipole, Da:	5.73
IP(EA), eV:	-8.64(-0.59)
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]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations