Geometry & MOs

Info

ID:	65590
PubChem CID:	46386654
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	4.37
Dipole, Da:	5.82
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)-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)OC)C)C

DOS

IR

Vibrations