Geometry & MOs

Info

ID:	55950
PubChem CID:	17397711
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	308.116092
ΔH_f, kcal/mol:	-15.45
Dipole, Da:	3.91
IP(EA), eV:	-8.58(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)/C=C\2/C(=O)N(C(=S)N2)CC3CCCO3

DOS

IR

Vibrations