Geometry & MOs

Info

ID:	300932
PubChem CID:	123055421
Reduced:	NCl2O4H23C27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	525.074593
ΔH_f, kcal/mol:	-91.15
Dipole, Da:	3.68
IP(EA), eV:	-8.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3E)-2-(3,4-dichlorophenyl)-3-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations