Geometry & MOs

Info

ID:

405038

PubChem CID:

135072254

Reduced:

ClNF4H8C14 (1)

Stoich.:

ABC4D8E14 (1)

Weight, g/mol:

1002.636883

ΔHf, kcal/mol:

-142.51

Dipole, Da:

2.91

IP(EA), eV:

-9.55(-0.83)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(3E,6S,7S,8R,9Z)-12-[3-[[(3R,4E)-3-methoxyhepta-4,6-dienoyl]amino]-2,5-bis(triethylsilyloxy)phenyl]-7,9-dimethyl-8-triethylsilyldodeca-1,3,9-trien-6-yl] 1-(cyclohexene-1-carbonylamino)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)F)N=C(C(F)(F)F)Cl

DOS

IR

Vibrations