Geometry & MOs

Info

ID:	55487
PubChem CID:	17395450
Reduced:	NSO3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	275.007471
ΔH_f, kcal/mol:	-24.08
Dipole, Da:	3.99
IP(EA), eV:	-8.97(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=N/C(=C\C3=CC=CO3)/C(=O)O2

DOS

IR

Vibrations