Geometry & MOs

Info

ID:	300975
PubChem CID:	123058782
Reduced:	NO6C30H31 (1)
Stoich.:	AB6C30D31 (1)
Weight, g/mol:	531.189317
ΔH_f, kcal/mol:	-161.49
Dipole, Da:	6.87
IP(EA), eV:	-8.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C2=O)C4=CC(=C(C=C4)OCC)OC

DOS

IR

Vibrations