Geometry & MOs

Info

ID:

404063

PubChem CID:

135064820

Reduced:

PSiN4O13C50H61 (1)

Stoich.:

ABC4D13E50F61 (1)

Weight, g/mol:

416.238286

ΔHf, kcal/mol:

-553.34

Dipole, Da:

11.57

IP(EA), eV:

 -8.89(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,5R,6S)-4-(7-methyl-3-methylideneoct-6-en-1-ynyl)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-yl] acetate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P@@](=O)(C=C=C)OC3CC(OC3COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)N7C=C(C(=O)NC7=O)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations