Geometry & MOs

Info

ID:

179495

PubChem CID:

76490588

Reduced:

S2N7O12C19H19 (1)

Stoich.:

A2B7C12D19E19 (1)

Weight, g/mol:

381.160994

ΔHf, kcal/mol:

-286.42

Dipole, Da:

3.86

IP(EA), eV:

 -9.42(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[7-(2,2-dimethylpropoxy)-3-oxo-9-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undeca-1(8),10-dien-4-yl]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1COC(=O)CON=C(C2=CSC(=N2)N)C(=O)NC3C(N(C3=O)S(=O)(=O)O)COC(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations