Geometry & MOs

Info

ID:	173546
PubChem CID:	75651845
Reduced:	SO3N5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	421.085818
ΔH_f, kcal/mol:	49.35
Dipole, Da:	7.73
IP(EA), eV:	-8.62(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C2=NC(=O)C3C=CC=CC3=N2)C4=CC5=C(O4)C(=CC=C5)OC

DOS

IR

Vibrations