Geometry & MOs

Info

ID:	124122
PubChem CID:	50872817
Reduced:	ClFNS2O4H15C24 (1)
Stoich.:	ABCD2E4F15G24 (1)
Weight, g/mol:	479.04807
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	4.82
IP(EA), eV:	-9.07(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations