Geometry & MOs

Info

ID:	301088
PubChem CID:	123059791
Reduced:	NF3O6H26C29 (1)
Stoich.:	AB3C6D26E29 (1)
Weight, g/mol:	515.194402
ΔH_f, kcal/mol:	-327.57
Dipole, Da:	8.91
IP(EA), eV:	-9.11(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations