Geometry & MOs

Info

ID:	55486
PubChem CID:	17395449
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	259.030314
ΔH_f, kcal/mol:	-22.74
Dipole, Da:	1.56
IP(EA), eV:	-9.39(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-(furan-2-ylmethylidene)-2-(5-methylthiophen-2-yl)-1,3-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations