Geometry & MOs

Info

ID:	163158
PubChem CID:	57646638
Reduced:	FNO4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	583.02747
ΔH_f, kcal/mol:	-184.58
Dipole, Da:	10.65
IP(EA), eV:	-9.49(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-aminophenyl)-hydroxymethylidene]-5-(3-chloro-4-hydroxyphenyl)-1-[5-(4-hydroxyphenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(C=C(C=C2)CC3=CC=C(C=C3)F)C(=C(C1=O)C(=O)O)O

DOS

IR

Vibrations