Geometry & MOs

Info

ID:

150141

PubChem CID:

53789828

Reduced:

Cl4O4H10F12C21 (1)

Stoich.:

A4B4C10D12E21 (1)

Weight, g/mol:

673.352574

ΔHf, kcal/mol:

-669.14

Dipole, Da:

0.47

IP(EA), eV:

 -10.41(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[hydroxy(3,7,11-trimethyldodeca-2,6,10-trienyl)phosphoryl]oxyacetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(=CCC#C)C(C#C)(OC(=O)C1C(C1(C(F)(F)F)Cl)(C(F)(F)F)Cl)OC(=O)C2C(C2(C(F)(F)F)Cl)(C(F)(F)F)Cl

DOS

IR

Vibrations