Geometry & MOs

Info

ID:	300751
PubChem CID:	123051121
Reduced:	BrFN2O6H14C23 (1)
Stoich.:	ABC2D6E14F23 (1)
Weight, g/mol:	464.101979
ΔH_f, kcal/mol:	-111.33
Dipole, Da:	5.14
IP(EA), eV:	-9.11(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-hydroxy-5-methylphenyl)-5-(4-hydroxy-3-nitrophenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC(=CC=C1/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)Br)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC(=CC=C1/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)Br)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):