Geometry & MOs

Info

ID:	300976
PubChem CID:	123058784
Reduced:	NO8H29C30 (1)
Stoich.:	AB8C29D30 (1)
Weight, g/mol:	545.204967
ΔH_f, kcal/mol:	-233.79
Dipole, Da:	10.84
IP(EA), eV:	-8.62(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3Z)-2-(4-ethoxy-3-methoxyphenyl)-3-[(3-ethoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations