Geometry & MOs

Info

ID:	65587
PubChem CID:	46386651
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	348.08116
ΔH_f, kcal/mol:	34.32
Dipole, Da:	5.39
IP(EA), eV:	-8.57(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations