Geometry & MOs

Info

ID:	27627
PubChem CID:	822689
Reduced:	OSN2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	334.095357
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	4.34
IP(EA), eV:	-8.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-4-[3-(2-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

C[C@H]1C(=C(NC(=S)N1)C)C(=O)C

DOS

IR

Vibrations