Geometry & MOs

Info

ID:	166629
PubChem CID:	74718335
Reduced:	O2S2N4C24H25 (1)
Stoich.:	A2B2C4D24E25 (1)
Weight, g/mol:	458.970615
ΔH_f, kcal/mol:	52.32
Dipole, Da:	8.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.819007
Charge, e:	-1

Chem-info

IUPAC name:

1-(4-chlorophenyl)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2,6-dioxopyrimidin-4-olate

Drug info:

PubChemData

Smile

CC(C)CNC1=C(C(=O)[NH+]2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CCC4=CC=CC=C4

DOS

IR

Vibrations