Geometry & MOs

Info

ID:	300910
PubChem CID:	123055388
Reduced:	NF2O5H27C29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	528.226037
ΔH_f, kcal/mol:	-218.19
Dipole, Da:	5.52
IP(EA), eV:	-9.17(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4E)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-2,3-dioxo-5-(3-propoxyphenyl)pyrrolidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations