Geometry & MOs

Info

ID:	300659
PubChem CID:	123050676
Reduced:	NO6H29C30 (1)
Stoich.:	AB6C29D30 (1)
Weight, g/mol:	485.147452
ΔH_f, kcal/mol:	-167.54
Dipole, Da:	12.83
IP(EA), eV:	-8.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3Z)-2-(3-acetyloxyphenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)OCC(C)C)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations