Geometry & MOs

Info

ID:	124083
PubChem CID:	50872037
Reduced:	FN2S2O5H19C25 (1)
Stoich.:	AB2C2D5E19F25 (1)
Weight, g/mol:	445.127385
ΔH_f, kcal/mol:	-50.18
Dipole, Da:	7.2
IP(EA), eV:	-8.88(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)F)OCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations