Geometry & MOs

Info

ID:	130211
PubChem CID:	51075277
Reduced:	SN2O3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	300.104482
ΔH_f, kcal/mol:	-36.43
Dipole, Da:	2.9
IP(EA), eV:	-9.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations