Geometry & MOs

Info

ID:

224814

PubChem CID:

85389160

Reduced:

OSTeWC11H11 (1)

Stoich.:

ABCDE11F11 (1)

Weight, g/mol:

681.296923

ΔHf, kcal/mol:

-98.09

Dipole, Da:

4.02

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.836184

Charge, e:

 0

Chem-info

IUPAC name:

[15-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-12-[tert-butyl(dimethyl)silyl]oxy-3-oxo-4-oxatricyclo[10.4.0.05,16]hexadeca-1,8,13,15-tetraen-6,10-diyn-14-yl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CCOC(=[W])C(=C(C1=CC=CC=C1)S)[Te]

DOS

IR

Vibrations