Geometry & MOs

Info

ID:	138508
PubChem CID:	52377078
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	400.127051
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	2.1
IP(EA), eV:	-8.75(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[2-(2,5-dimethylfuran-3-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2,6-dimethoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=N/C(=C/C3=CC=C(C=C3)OCC4=CSC=N4)/C(=O)O2

DOS

IR

Vibrations