Geometry & MOs

Info

ID:	82166
PubChem CID:	49855713
Reduced:	SO3N4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	469.200156
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	4.5
IP(EA), eV:	-9.26(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(4-cyclopropyloxyphenyl)-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=NC=C(S4)C

DOS

IR

Vibrations