Geometry & MOs

Info

ID:

228020

PubChem CID:

87563236

Reduced:

FePO2S2C4H10 (1)

Stoich.:

ABC2D2E4F10 (1)

Weight, g/mol:

243.125929

ΔHf, kcal/mol:

-114.55

Dipole, Da:

2.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.784670

Charge, e:

 0

Chem-info

IUPAC name:

N-(cyclobutylmethoxy)-1H-indene-4-carboxamide

Drug info:

PubChemData

Smile

CCCC.[O-]P(=S)([O-])[S-].[Fe+3]

DOS

IR

Vibrations