Geometry & MOs

Info

ID:

17593

PubChem CID:

507057

Reduced:

N9O9C35H59 (1)

Stoich.:

A9B9C35D59 (1)

Weight, g/mol:

749.443575

ΔHf, kcal/mol:

-412.97

Dipole, Da:

10.35

IP(EA), eV:

 -9.86(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-(3-carboxypropanoylamino)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-3-cyclohexyl-1-oxo-1-[[(1S)-1-(2H-tetrazol-5-yl)butyl]amino]propan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC[C@@H](C1=NNN=N1)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CCC(=O)O

DOS

IR

Vibrations