Geometry & MOs

Info

ID:	301061
PubChem CID:	123059684
Reduced:	NF2O6H27C29 (1)
Stoich.:	AB2C6D27E29 (1)
Weight, g/mol:	544.220951
ΔH_f, kcal/mol:	-243.89
Dipole, Da:	8.08
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3E)-2-(4-ethoxy-3-methoxyphenyl)-3-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide

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=C(C=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=C(C=C(C=C4)F)F)OC

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=C(C=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=C(C=C(C=C4)F)F)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):