Geometry & MOs

Info

ID:

17597

PubChem CID:

507062

Reduced:

F5N6O13C42H65 (1)

Stoich.:

A5B6C13D42E65 (1)

Weight, g/mol:

956.452977

ΔHf, kcal/mol:

-928.47

Dipole, Da:

7.18

IP(EA), eV:

 -10.07(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-5-[[(2R)-4-carboxy-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[(1,1,1,2,2-pentafluoro-3-oxoheptan-4-yl)amino]propan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-(3-carboxypropanoylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)C(C(F)(F)F)(F)F)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCC(=O)O

DOS

IR

Vibrations