Geometry & MOs

Info

ID:

435849

PubChem CID:

135192568

Reduced:

O3C21H32 (1)

Stoich.:

A3B21C32 (1)

Weight, g/mol:

731.458162

ΔHf, kcal/mol:

-145.75

Dipole, Da:

3.64

IP(EA), eV:

 -9.32(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-[[3-[(1R)-cyclohexa-2,4-dien-1-yl]-2-[[2-[[2-[6-[5-hydroxy-3-(3-methylpentan-3-yl)-2-oxopyrrolidin-1-yl]hexanoylamino]acetyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]hexanamide

Drug info:

PubChemData

Smile

CCC(C)(CC)C(=O)C1CCC(CC1)CCCC2C(=O)C=CC2=O

DOS

IR

Vibrations