Geometry & MOs

Info

ID:	173503
PubChem CID:	75646007
Reduced:	NO6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	375.95691
ΔH_f, kcal/mol:	-160.8
Dipole, Da:	9.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.253743
Charge, e:	-1

Chem-info

IUPAC name:

5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2-oxoimidazol-4-olate

Drug info:

PubChemData

Smile

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)[O-])OC)OC)OC

DOS

IR

Vibrations