Geometry & MOs

Info

ID:

215310

PubChem CID:

85084527

Reduced:

O12C45H74 (1)

Stoich.:

A12B45C74 (1)

Weight, g/mol:

808.356276

ΔHf, kcal/mol:

-626.96

Dipole, Da:

8.5

IP(EA), eV:

 -9.72(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CCCCC1C(O1)CCCCCCCC(C2CCC(O2)CCCC(C(CCCCCCCC(CC3=CC(OC3=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations