Geometry & MOs

Info

ID:

166661

PubChem CID:

74723093

Reduced:

SN2F3O3H12C24 (1)

Stoich.:

AB2C3D3E12F24 (1)

Weight, g/mol:

469.153025

ΔHf, kcal/mol:

-88.11

Dipole, Da:

12.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.100329

Charge, e:

 1

Chem-info

IUPAC name:

3-[2-(4-chlorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2C(=C(C3=CC=C(C=C3)F)[O-])C(=O)C(=O)N2C4=NC5=C(S4)C=C(C=C5)F

DOS

IR

Vibrations