Geometry & MOs

Info

ID:

223143

PubChem CID:

85334586

Reduced:

ClFN2O17C64H104 (1)

Stoich.:

ABC2D17E64F104 (1)

Weight, g/mol:

1227.743839

ΔHf, kcal/mol:

-912.4

Dipole, Da:

9.83

IP(EA), eV:

 -8.68(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-amino-2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCC1C(C(C(N(CCCC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)CCCCOC(=O)C4(C(CC5C4(CC(C6(C5CC(C7=CC(=O)C=CC76C)F)Cl)O)C)C)O)(C)C)C)C)O)(C)O

DOS

IR

Vibrations