Geometry & MOs

Info

ID:	132913
PubChem CID:	51445042
Reduced:	ClN3O4H22C26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	450.075981
ΔH_f, kcal/mol:	-78.7
Dipole, Da:	6.18
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-2-(2,4-dimethoxyphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations