Geometry & MOs

Info

ID:	300588
PubChem CID:	123044327
Reduced:	ClN2O7H21C26 (1)
Stoich.:	AB2C7D21E26 (1)
Weight, g/mol:	510.082993
ΔH_f, kcal/mol:	-130.93
Dipole, Da:	6.46
IP(EA), eV:	-9.28(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(5-chloro-2-hydroxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-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

CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=C(C=C(C=C3)Cl)C)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

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

CCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=C(C=C(C=C3)Cl)C)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):