Geometry & MOs

Info

ID:	132903
PubChem CID:	51444292
Reduced:	FN2O5H23C27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	453.040887
ΔH_f, kcal/mol:	-149.55
Dipole, Da:	1.72
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1-(4-ethylphenyl)-4,6-dioxopyrimidin-2-olate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4C)C5=CC=C(C=C5)F

DOS

IR

Vibrations