Geometry & MOs

Info

ID:	166726
PubChem CID:	74725443
Reduced:	N3O5C26H30 (1)
Stoich.:	A3B5C26D30 (1)
Weight, g/mol:	441.075647
ΔH_f, kcal/mol:	-104.16
Dipole, Da:	7.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.767190
Charge, e:	-1

Chem-info

IUPAC name:

1-(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-3-(furan-2-carbonyl)-2-(5-methylfuran-2-yl)-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CN=CC=C4)[O-]

DOS

IR

Vibrations