Geometry & MOs

Info

ID:

144041

PubChem CID:

53304742

Reduced:

PO10C32H33 (1)

Stoich.:

AB10C32D33 (1)

Weight, g/mol:

553.335413

ΔHf, kcal/mol:

-394.5

Dipole, Da:

8.14

IP(EA), eV:

 -9.88(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,7S)-N-[(E)-2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxocyclohexen-1-yl]-3-chloroprop-2-enyl]-7-methoxytetradec-4-enamide

Drug info:

PubChemData

Smile

CCOP(=O)(C/C=C/[C@]1(CO[C@@H]([C@@H]1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OCC

DOS

IR

Vibrations