Geometry & MOs

Info

ID:

297913

PubChem CID:

117636453

Reduced:

N9O17C43H75 (1)

Stoich.:

A9B17C43D75 (1)

Weight, g/mol:

765.314076

ΔHf, kcal/mol:

-848.01

Dipole, Da:

13.32

IP(EA), eV:

 -9.03(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-hydroxy-N-[(2S)-3-hydroxy-1-[[2-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-[[2-[[(2S)-3-hydroxy-1-[[(2S)-3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-2-(propanoylamino)propanamide

Drug info:

PubChemData

Smile

CC(=O)[C@H](CCCCNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCC(=O)O)NC

DOS

IR

Vibrations