Geometry & MOs

Info

ID:	300780
PubChem CID:	123054989
Reduced:	NO7C31H31 (1)
Stoich.:	AB7C31D31 (1)
Weight, g/mol:	529.210052
ΔH_f, kcal/mol:	-222.74
Dipole, Da:	7.71
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-[(3E)-2-(3-hydroxyphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=CC=C4)O

DOS

IR

Vibrations