Geometry & MOs

Info

ID:

232035

PubChem CID:

87575230

Reduced:

AuNOSC5H5 (1)

Stoich.:

ABCDE5F5 (1)

Weight, g/mol:

402.207529

ΔHf, kcal/mol:

114.06

Dipole, Da:

4.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.836890

Charge, e:

 0

Chem-info

IUPAC name:

ethyl octadecanoate;zirconium

Drug info:

PubChemData

Smile

C1=CC(=S)N(C=C1)O.[Au]

DOS

IR

Vibrations