Geometry & MOs

Info

ID:

401714

PubChem CID:

135052218

Reduced:

N2O2S2C12H17 (1)

Stoich.:

A2B2C2D12E17 (1)

Weight, g/mol:

167.054613

ΔHf, kcal/mol:

-36.67

Dipole, Da:

5.25

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.827158

Charge, e:

 0

Chem-info

IUPAC name:

dilithium;(4-fluorophenyl)methylidene-dioxidoazanium

Drug info:

PubChemData

Smile

CCOC(=O)CSC(=S)N[N+]1=C(C=C(C=C1)C)C

DOS

IR

Vibrations