Geometry & MOs

Info

ID:

383178

PubChem CID:

134974750

Reduced:

N2O2S2C15H19 (1)

Stoich.:

A2B2C2D15E19 (1)

Weight, g/mol:

309.181432

ΔHf, kcal/mol:

-36.51

Dipole, Da:

3.58

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.946445

Charge, e:

 1

Chem-info

IUPAC name:

tert-butyl N-[(3S)-7-hydroxy-1,1-dimethyl-8-oxo-1-azoniaspiro[4.5]deca-6,9-dien-3-yl]carbamate

Drug info:

PubChemData

Smile

CCSC1(C(C(C2=CC=CC=[N+]21)OC(=O)C)C#N)SCC

DOS

IR

Vibrations