Geometry & MOs

Info

ID:	166056
PubChem CID:	74630933
Reduced:	N3O4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	394.080101
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	4.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763223
Charge, e:	-2

Chem-info

IUPAC name:

3-[2-(3-nitrophenyl)-3-[oxido(phenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CC(=O)N(C1)C2=C(C=C(C=C2)OC)OC)[NH+]3CCC4=CC=CC=C4C3

DOS

IR

Vibrations