Geometry & MOs

Info

ID:

17595

PubChem CID:

507059

Reduced:

SN6O12C41H64 (1)

Stoich.:

AB6C12D41E64 (1)

Weight, g/mol:

864.430293

ΔHf, kcal/mol:

-577.69

Dipole, Da:

10.31

IP(EA), eV:

 -10.02(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-(benzenesulfonamido)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(3-carboxypropanoylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)NS(=O)(=O)C1=CC=CC=C1)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