Geometry & MOs

Info

ID:

406612

PubChem CID:

135078166

Reduced:

NOC3H5 (3)

Stoich.:

ABC3D5 (3)

Weight, g/mol:

689.15832

ΔHf, kcal/mol:

-62.83

Dipole, Da:

3.62

IP(EA), eV:

 -9.91(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,4aS,5R,8aR)-5-[2-[methoxy(methyl)amino]-2-oxoethyl]-5,8a-dimethyl-4-triethylsilyloxy-6-(trifluoromethylsulfonyloxy)-3,4,4a,8-tetrahydronaphthalen-1-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)OC1C=CC(C(O1)CN=[N+]=[N-])O

DOS

IR

Vibrations