Geometry & MOs

Info

ID:

17596

PubChem CID:

507061

Reduced:

F5N6O13C41H63 (1)

Stoich.:

A5B6C13D41E63 (1)

Weight, g/mol:

942.437327

ΔHf, kcal/mol:

-912.71

Dipole, Da:

13.35

IP(EA), eV:

 -10.41(-1.33)

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-[(5,5,6,6,6-pentafluoro-4-oxohexan-3-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

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