Geometry & MOs

Info

ID:

217065

PubChem CID:

85087194

Reduced:

NiN2S2O3C10H11 (1)

Stoich.:

AB2C2D3E10F11 (1)

Weight, g/mol:

330.07342

ΔHf, kcal/mol:

43.02

Dipole, Da:

4.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.967366

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-hydroxy-4,4-dimethyl-2-phenylselanylpentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C(=NNC(=S)SC)C)[O-].[Ni]

DOS

IR

Vibrations