Geometry & MOs

Info

ID:	180889
PubChem CID:	76699565
Reduced:	SF2N5O6C21H23 (1)
Stoich.:	AB2C5D6E21F23 (1)
Weight, g/mol:	905.289582
ΔH_f, kcal/mol:	-236.6
Dipole, Da:	6.46
IP(EA), eV:	-8.77(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]oxoniobutyl]oxidanium;ethane;zirconium

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

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C(=C2)F)N3CCN(OCC3)S(=O)(=O)C4=CC=CC=N4)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

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C(=C2)F)N3CCN(OCC3)S(=O)(=O)C4=CC=CC=N4)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):