Geometry & MOs

Info

ID:	132210
PubChem CID:	51321817
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-46.92
Dipole, Da:	5.48
IP(EA), eV:	-8.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-(3,4-diethoxyphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C)NC(=O)CSC1=NC=C2N1C=CC=C2

DOS

IR

Vibrations