Geometry & MOs

Info

ID:	215400
PubChem CID:	85084682
Reduced:	BFeO2Br3N6C34H48 (1)
Stoich.:	ABC2D3E6F34G48 (1)
Weight, g/mol:	879.505035
ΔH_f, kcal/mol:	-8.63
Dipole, Da:	3.79
IP(EA), eV:	-8.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[2,3-di(docosa-4,7,10,13,16,18-hexaenoyloxy)propoxy-hydroxyphosphoryl]oxypropanoic acid

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

[B-](N1C(=C(C(=N1)C(C)C)Br)C(C)C)(N2C(=C(C(=N2)C(C)C)Br)C(C)C)N3C(=C(C(=N3)C(C)C)Br)C(C)C.C1=CC=C(C=C1)C(=O)O.[Fe]

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

[B-](N1C(=C(C(=N1)C(C)C)Br)C(C)C)(N2C(=C(C(=N2)C(C)C)Br)C(C)C)N3C(=C(C(=N3)C(C)C)Br)C(C)C.C1=CC=C(C=C1)C(=O)O.[Fe]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):